Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model (209 views visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jun 29; 110(25): 12632-12639.
Export to Esporta in BibTeX Export to Esporta in EndNote
Paper type Tipo di articolo: Journal Article,
Impact factor: 4.115, 5-year impact factor Impact factor a 5 anni: 3.527
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-33845431651&partnerID=40&md5=0e8252a1a2a83a9eb58551bcec05fb93
Keywords Parole chiave: Charge Transfer, Continuum Mechanics, Dissociation, Electrons, Parameter Estimation, Probability Density Function, Reaction Kinetics, Solvents, Acceptor Systems, Electronic States, Intramolecular Dissociative Electron Transfer, Peptide Chains, Proteins, Flow, Heavy Ions, Nuclear Modification Factor, Qgp, Strangeness,
Affiliations Affiliazioni:
*** IBB - CNR ***
Dipartimento di Chimica, Università Federico II, Complesso Monte S. Angela, via Cintia, 1-80126 Napoli, Italy
Brookhaven National Laboratory, Upton, NY 11973-5000, United States
Istituto di Biostrutture e Bioimmagini, CNR, via Mezzocannone 16, 80134 Napoli, Italy
University of Padua, INFN, Padua, Italy
University of Birmingham, Birmingham, United Kingdom
University of Catania, INFN, Catania, Italy
Physics Department, University of Athens, Athens, Greece
Institute of Experimental Physics, Slovak Academy of Science, Ko ice, Slovakia
Dipartiemnto IA di Fisica, Universit e del Politecnico di Bari, INFN, Bari, Italy
CERN, European Laboratory for Particle Physics, Geneva, Switzerland
University La Sapienza, INFN, Rome, Italy
State University of St. Petersburg, St. Petersburg, Russian Federation
Dipartiemnto di Scienze Fisiche E. R. Caianiello dell' Universit, INFN, Salerno, Italy
H gskolen i Bergen, Bergen, Norway
Fysisk Institutt, Universitetet i Oslo, Oslo, Norway
Utrecht University, NIKHEF, Utrecht, Netherlands
IReS, ULP, Strasbourg, France
Institutt for Fysikk og Teknologi, Universitetet i Bergen, Bergen, Norway
Coll ge de France, Paris, France
Institute of Physics, Prague, Czech Republic
P. J. af rik University, Ko ice, Slovakia
References Riferimenti:
(1990) Organic Electrochemistry, , Lund, H., Baizer, M. M., Eds.
Andrieux, C.P., Saveant, J.-M., Electrochemical reactions (1986) Investigations of Rates and Mechanisms of Reactions, 6 (4 E AND PART 2C), p. 305. , Bernasconi, C. F. Ed.
Wiley and Sons: New York
Turner, A.P.F., Karube, I., Wilson, G., (1987) Biosensors: Fundamentals and Applications, , Oxford University Press: New York
(1988) Molecular Electronics: Science and Technology, , Aviram, A., Ratner, M., Eds.
New York Academy of Sciences: New York
Joachim, C., Gimzewski, J.K., Aviran, A., (2000) Nature, 408, p. 541
Fox, M.A., (1999) Acc. Chem. Res., 32, p. 201
Marcus, R.A., Sutin, N., (1985) Biochim. Biophys. Acta, 811, p. 265
Regan, J.J., Onuchic, J.N., (1999) Electron Transfer: From Isolated Molecules to Biomolecules, (2 PART), p. 497. , Jortner, J., Bixon, M., Eds.
Isied, S.S., Ogawa, M.Y., Wishart, J.F., (1992) Chem. Rev., 92, p. 381
Mishra, A.K., Chandrasekhar, R., Faraggi, M., Klapper, M.H., (1994) J. Am. Chem. Soc., 116, p. 1414
Tamiaki, H., Nomura, K., Maruyama, K., (1994) Bull. Chem. Soc. Jpn., 67, p. 1863
Bobrowski, K., Holcman, J., Poznanski, J., Wierzchowski, K.L., (1997) Biophys. Chem., 63, p. 153
Galka, M.M., Kraatz, H.-B., (2002) ChemPhysChem, 3, p. 356
Antonello, S., Formaggio, F., Moretto, A., Toniolo, C., Maran, F., (2003) J. Am. Chem. Soc., 125, p. 2874
Improta, R., Antonello, S., Forrqaggio, F., Maran, F., Rega, N., Barone, V., (2005) J. Phys. Chem. B, 109, p. 1023
Burns, C.S., Rochelle, L., Forbes, M.D., (2001) Org. Lett., 3, p. 2197
Sasaki, H., Makino, M., Sisido, M., Smith, T.A., Ghiggino, K.P., (2001) J. Phys. Chem. B, 105, p. 10407
Kise Jr., K.J., Bowler, B.E., (2003) Inorg. Chem., 42, p. 3891
Morita, T., Kimura, S., (2003) J. Am. Chem. Soc., 125, p. 8732
Maran, F., Wayner, D.D.M., Workentin, M.S., (2001) Adv. Phys. Org. Chem., 36, p. 85
Antonello, S., Musumeci, M., Wayner, D.D.M., Maran, F., (1997) J. Am. Chem. Soc., 119, p. 9541
Antonello, S., Maran, F., (1999) J. Am. Chem. Soc., 121, p. 9668
Newton, M.D., (2003) Coord. Chem. Rev., 238, p. 167
Burghardt, I., Laage, D., Hynes, J.T., (2003) J. Phys. Chem. A, 107, p. 11292
Laage, D., Burghardt, I., Sommerfield, T., Hynes, J.T., (2003) ChemPhysChem, 4, p. 61
Costentin, C., Robert, M., Saveant, J.-M., (2004) J. Am. Chem. Soc., 126, p. 16834
Leontyev, I.V., Basilevsky, M.V., Newton, M.D., (2004) Theor. Chem. Acc., 111, p. 110
Prytkova, T.R., Kurnikov, I.V., Beraten, D.N., (2005) J. Phys. Chem. B, 109, p. 1618
Saveant, J.-M., (1987) J. Am. Chem. Soc., 109, p. 6788
Antonello, S., Crisma, M., Formaggio, F., Moretto, A., Taddei, F., Toniolo, C., Maran, F., (2002) J. Am. Chem. Soc., 124, p. 11503
German, E.D., Kutznetov, A.M., (1994) J. Phys. Chem., 98, p. 6120
Improta, R., Barone, V., Newton, M.D., ChemPliysChem, , in press
Marcus, R.A., (1956) J. Chem. Phys., 24, p. 4966
Hush, N.S., (1958) J. Chem. Phys., 28, p. 962
Marcus, R.A., (1982) Faraday Discuss. Chem. Soc., 74, p. 7
Saveant, J.-M., Single electron transfer and nucleophilic substitution (2000) Advances in Physical Organic Chemistry, 35, p. 117. , Tidwell, T. T., Ed.
Academic Press: New York
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery Jr., J.A., Pople, J.A., (2005) Gaussian 03 Development Version', Revision D.02, , Gaussian Inc.: Pittsburgh, PA
Adamo, C., Cossi, M., Barone, V., (1999) J. Mol. Struct. (THEOCHEM), 493, p. 145
Frisch, M.J., Pople, J.A., Binkley, J.S., (1984) J. Chem. Phys., 80, p. 3265
Adamo, C., Scuseria, G.E., Barone, V., (1999) J. Chem. Phys., 111, p. 2889
Improta, R., Santoro, F., Dietl, C., Papastathopoulos, E., Gerber, G., (2004) Chem. Phys. Lett., 387, p. 509
Aquilante, F., Barone, V., Roos, B.O., (2003) J. Chem. Phys., 119, p. 12323
Gawronski, J., Kazmierczak, F., Gawronska, K., Rychlewska, U., Norden, B., Holmen, A., (1998) J. Am. Chem. Soc., 120, p. 12083
Cossi, M., Scalmani, G., Rega, N., Barone, V., (2002) J. Chem. Phys., 117, p. 43
Miertus, S., Scrocco, E., Tomasi, J., (1981) Chem. Phys., 55, p. 117
Cave, R.J., Newton, M.D., (1996) Chem. Phys. Lett., 249, p. 15
Donkers, R.L., Maran, F., Wayner, D.D.M., Workentin, M.S., (1999) J. Am. Chem. Soc., 121, p. 7239
Maran, F., Antonello, S., (2005), Università di Padova. Personal communicationUR - http://www.scopus.com/inward/record.url?eid=2-s2.0-33746561718&partnerID=40&md5=7a640ebb7df929af97224a0d5e2d7bc6
Andrieux, C. P., Saveant, J. -M., Electrochemical reactions (1986) Investigations of Rates and Mechanisms of Reactions, 6 (4 E AND PART 2C), p. 305. , Bernasconi, C. F. Ed.
Turner, A. P. F., Karube, I., Wilson, G., (1987) Biosensors: Fundamentals and Applications, , Oxford University Press: New York
(1988) Molecular Electronics: Science and Technology, , Aviram, A., Ratner, M., Eds.
Fox, M. A., (1999) Acc. Chem. Res., 32, p. 201
Marcus, R. A., Sutin, N., (1985) Biochim. Biophys. Acta, 811, p. 265
Regan, J. J., Onuchic, J. N., (1999) Electron Transfer: From Isolated Molecules to Biomolecules, (2 PART), p. 497. , Jortner, J., Bixon, M., Eds.
Isied, S. S., Ogawa, M. Y., Wishart, J. F., (1992) Chem. Rev., 92, p. 381
Mishra, A. K., Chandrasekhar, R., Faraggi, M., Klapper, M. H., (1994) J. Am. Chem. Soc., 116, p. 1414
Galka, M. M., Kraatz, H. -B., (2002) ChemPhysChem, 3, p. 356
Burns, C. S., Rochelle, L., Forbes, M. D., (2001) Org. Lett., 3, p. 2197
Kise Jr., K. J., Bowler, B. E., (2003) Inorg. Chem., 42, p. 3891
Newton, M. D., (2003) Coord. Chem. Rev., 238, p. 167
Leontyev, I. V., Basilevsky, M. V., Newton, M. D., (2004) Theor. Chem. Acc., 111, p. 110
Prytkova, T. R., Kurnikov, I. V., Beraten, D. N., (2005) J. Phys. Chem. B, 109, p. 1618
Saveant, J. -M., (1987) J. Am. Chem. Soc., 109, p. 6788
German, E. D., Kutznetov, A. M., (1994) J. Phys. Chem., 98, p. 6120
Marcus, R. A., (1956) J. Chem. Phys., 24, p. 4966
Hush, N. S., (1958) J. Chem. Phys., 28, p. 962
Marcus, R. A., (1982) Faraday Discuss. Chem. Soc., 74, p. 7
Saveant, J. -M., Single electron transfer and nucleophilic substitution (2000) Advances in Physical Organic Chemistry, 35, p. 117. , Tidwell, T. T., Ed.
Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Montgomery Jr., J. A., Pople, J. A., (2005) Gaussian 03 Development Version', Revision D. 02, , Gaussian Inc.: Pittsburgh, PA
Frisch, M. J., Pople, J. A., Binkley, J. S., (1984) J. Chem. Phys., 80, p. 3265
Cave, R. J., Newton, M. D., (1996) Chem. Phys. Lett., 249, p. 15
Donkers, R. L., Maran, F., Wayner, D. D. M., Workentin, M. S., (1999) J. Am. Chem. Soc., 121, p. 7239
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jun 29; 110(25): 12632-12639.
Export to Esporta in BibTeX Export to Esporta in EndNote
Paper type Tipo di articolo: Journal Article,
Impact factor: 4.115, 5-year impact factor Impact factor a 5 anni: 3.527
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-33845431651&partnerID=40&md5=0e8252a1a2a83a9eb58551bcec05fb93
Keywords Parole chiave: Charge Transfer, Continuum Mechanics, Dissociation, Electrons, Parameter Estimation, Probability Density Function, Reaction Kinetics, Solvents, Acceptor Systems, Electronic States, Intramolecular Dissociative Electron Transfer, Peptide Chains, Proteins, Flow, Heavy Ions, Nuclear Modification Factor, Qgp, Strangeness,
Affiliations Affiliazioni:
*** IBB - CNR ***
Dipartimento di Chimica, Università Federico II, Complesso Monte S. Angela, via Cintia, 1-80126 Napoli, Italy
Brookhaven National Laboratory, Upton, NY 11973-5000, United States
Istituto di Biostrutture e Bioimmagini, CNR, via Mezzocannone 16, 80134 Napoli, Italy
University of Padua, INFN, Padua, Italy
University of Birmingham, Birmingham, United Kingdom
University of Catania, INFN, Catania, Italy
Physics Department, University of Athens, Athens, Greece
Institute of Experimental Physics, Slovak Academy of Science, Ko ice, Slovakia
Dipartiemnto IA di Fisica, Universit e del Politecnico di Bari, INFN, Bari, Italy
CERN, European Laboratory for Particle Physics, Geneva, Switzerland
University La Sapienza, INFN, Rome, Italy
State University of St. Petersburg, St. Petersburg, Russian Federation
Dipartiemnto di Scienze Fisiche E. R. Caianiello dell' Universit, INFN, Salerno, Italy
H gskolen i Bergen, Bergen, Norway
Fysisk Institutt, Universitetet i Oslo, Oslo, Norway
Utrecht University, NIKHEF, Utrecht, Netherlands
IReS, ULP, Strasbourg, France
Institutt for Fysikk og Teknologi, Universitetet i Bergen, Bergen, Norway
Coll ge de France, Paris, France
Institute of Physics, Prague, Czech Republic
P. J. af rik University, Ko ice, Slovakia
References Riferimenti:
(1990) Organic Electrochemistry, , Lund, H., Baizer, M. M., Eds.
Andrieux, C.P., Saveant, J.-M., Electrochemical reactions (1986) Investigations of Rates and Mechanisms of Reactions, 6 (4 E AND PART 2C), p. 305. , Bernasconi, C. F. Ed.
Wiley and Sons: New York
Turner, A.P.F., Karube, I., Wilson, G., (1987) Biosensors: Fundamentals and Applications, , Oxford University Press: New York
(1988) Molecular Electronics: Science and Technology, , Aviram, A., Ratner, M., Eds.
New York Academy of Sciences: New York
Joachim, C., Gimzewski, J.K., Aviran, A., (2000) Nature, 408, p. 541
Fox, M.A., (1999) Acc. Chem. Res., 32, p. 201
Marcus, R.A., Sutin, N., (1985) Biochim. Biophys. Acta, 811, p. 265
Regan, J.J., Onuchic, J.N., (1999) Electron Transfer: From Isolated Molecules to Biomolecules, (2 PART), p. 497. , Jortner, J., Bixon, M., Eds.
Isied, S.S., Ogawa, M.Y., Wishart, J.F., (1992) Chem. Rev., 92, p. 381
Mishra, A.K., Chandrasekhar, R., Faraggi, M., Klapper, M.H., (1994) J. Am. Chem. Soc., 116, p. 1414
Tamiaki, H., Nomura, K., Maruyama, K., (1994) Bull. Chem. Soc. Jpn., 67, p. 1863
Bobrowski, K., Holcman, J., Poznanski, J., Wierzchowski, K.L., (1997) Biophys. Chem., 63, p. 153
Galka, M.M., Kraatz, H.-B., (2002) ChemPhysChem, 3, p. 356
Antonello, S., Formaggio, F., Moretto, A., Toniolo, C., Maran, F., (2003) J. Am. Chem. Soc., 125, p. 2874
Improta, R., Antonello, S., Forrqaggio, F., Maran, F., Rega, N., Barone, V., (2005) J. Phys. Chem. B, 109, p. 1023
Burns, C.S., Rochelle, L., Forbes, M.D., (2001) Org. Lett., 3, p. 2197
Sasaki, H., Makino, M., Sisido, M., Smith, T.A., Ghiggino, K.P., (2001) J. Phys. Chem. B, 105, p. 10407
Kise Jr., K.J., Bowler, B.E., (2003) Inorg. Chem., 42, p. 3891
Morita, T., Kimura, S., (2003) J. Am. Chem. Soc., 125, p. 8732
Maran, F., Wayner, D.D.M., Workentin, M.S., (2001) Adv. Phys. Org. Chem., 36, p. 85
Antonello, S., Musumeci, M., Wayner, D.D.M., Maran, F., (1997) J. Am. Chem. Soc., 119, p. 9541
Antonello, S., Maran, F., (1999) J. Am. Chem. Soc., 121, p. 9668
Newton, M.D., (2003) Coord. Chem. Rev., 238, p. 167
Burghardt, I., Laage, D., Hynes, J.T., (2003) J. Phys. Chem. A, 107, p. 11292
Laage, D., Burghardt, I., Sommerfield, T., Hynes, J.T., (2003) ChemPhysChem, 4, p. 61
Costentin, C., Robert, M., Saveant, J.-M., (2004) J. Am. Chem. Soc., 126, p. 16834
Leontyev, I.V., Basilevsky, M.V., Newton, M.D., (2004) Theor. Chem. Acc., 111, p. 110
Prytkova, T.R., Kurnikov, I.V., Beraten, D.N., (2005) J. Phys. Chem. B, 109, p. 1618
Saveant, J.-M., (1987) J. Am. Chem. Soc., 109, p. 6788
Antonello, S., Crisma, M., Formaggio, F., Moretto, A., Taddei, F., Toniolo, C., Maran, F., (2002) J. Am. Chem. Soc., 124, p. 11503
German, E.D., Kutznetov, A.M., (1994) J. Phys. Chem., 98, p. 6120
Improta, R., Barone, V., Newton, M.D., ChemPliysChem, , in press
Marcus, R.A., (1956) J. Chem. Phys., 24, p. 4966
Hush, N.S., (1958) J. Chem. Phys., 28, p. 962
Marcus, R.A., (1982) Faraday Discuss. Chem. Soc., 74, p. 7
Saveant, J.-M., Single electron transfer and nucleophilic substitution (2000) Advances in Physical Organic Chemistry, 35, p. 117. , Tidwell, T. T., Ed.
Academic Press: New York
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery Jr., J.A., Pople, J.A., (2005) Gaussian 03 Development Version', Revision D.02, , Gaussian Inc.: Pittsburgh, PA
Adamo, C., Cossi, M., Barone, V., (1999) J. Mol. Struct. (THEOCHEM), 493, p. 145
Frisch, M.J., Pople, J.A., Binkley, J.S., (1984) J. Chem. Phys., 80, p. 3265
Adamo, C., Scuseria, G.E., Barone, V., (1999) J. Chem. Phys., 111, p. 2889
Improta, R., Santoro, F., Dietl, C., Papastathopoulos, E., Gerber, G., (2004) Chem. Phys. Lett., 387, p. 509
Aquilante, F., Barone, V., Roos, B.O., (2003) J. Chem. Phys., 119, p. 12323
Gawronski, J., Kazmierczak, F., Gawronska, K., Rychlewska, U., Norden, B., Holmen, A., (1998) J. Am. Chem. Soc., 120, p. 12083
Cossi, M., Scalmani, G., Rega, N., Barone, V., (2002) J. Chem. Phys., 117, p. 43
Miertus, S., Scrocco, E., Tomasi, J., (1981) Chem. Phys., 55, p. 117
Cave, R.J., Newton, M.D., (1996) Chem. Phys. Lett., 249, p. 15
Donkers, R.L., Maran, F., Wayner, D.D.M., Workentin, M.S., (1999) J. Am. Chem. Soc., 121, p. 7239
Maran, F., Antonello, S., (2005), Università di Padova. Personal communicationUR - http://www.scopus.com/inward/record.url?eid=2-s2.0-33746561718&partnerID=40&md5=7a640ebb7df929af97224a0d5e2d7bc6
Andrieux, C. P., Saveant, J. -M., Electrochemical reactions (1986) Investigations of Rates and Mechanisms of Reactions, 6 (4 E AND PART 2C), p. 305. , Bernasconi, C. F. Ed.
Turner, A. P. F., Karube, I., Wilson, G., (1987) Biosensors: Fundamentals and Applications, , Oxford University Press: New York
(1988) Molecular Electronics: Science and Technology, , Aviram, A., Ratner, M., Eds.
Fox, M. A., (1999) Acc. Chem. Res., 32, p. 201
Marcus, R. A., Sutin, N., (1985) Biochim. Biophys. Acta, 811, p. 265
Regan, J. J., Onuchic, J. N., (1999) Electron Transfer: From Isolated Molecules to Biomolecules, (2 PART), p. 497. , Jortner, J., Bixon, M., Eds.
Isied, S. S., Ogawa, M. Y., Wishart, J. F., (1992) Chem. Rev., 92, p. 381
Mishra, A. K., Chandrasekhar, R., Faraggi, M., Klapper, M. H., (1994) J. Am. Chem. Soc., 116, p. 1414
Galka, M. M., Kraatz, H. -B., (2002) ChemPhysChem, 3, p. 356
Burns, C. S., Rochelle, L., Forbes, M. D., (2001) Org. Lett., 3, p. 2197
Kise Jr., K. J., Bowler, B. E., (2003) Inorg. Chem., 42, p. 3891
Newton, M. D., (2003) Coord. Chem. Rev., 238, p. 167
Leontyev, I. V., Basilevsky, M. V., Newton, M. D., (2004) Theor. Chem. Acc., 111, p. 110
Prytkova, T. R., Kurnikov, I. V., Beraten, D. N., (2005) J. Phys. Chem. B, 109, p. 1618
Saveant, J. -M., (1987) J. Am. Chem. Soc., 109, p. 6788
German, E. D., Kutznetov, A. M., (1994) J. Phys. Chem., 98, p. 6120
Marcus, R. A., (1956) J. Chem. Phys., 24, p. 4966
Hush, N. S., (1958) J. Chem. Phys., 28, p. 962
Marcus, R. A., (1982) Faraday Discuss. Chem. Soc., 74, p. 7
Saveant, J. -M., Single electron transfer and nucleophilic substitution (2000) Advances in Physical Organic Chemistry, 35, p. 117. , Tidwell, T. T., Ed.
Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Montgomery Jr., J. A., Pople, J. A., (2005) Gaussian 03 Development Version', Revision D. 02, , Gaussian Inc.: Pittsburgh, PA
Frisch, M. J., Pople, J. A., Binkley, J. S., (1984) J. Chem. Phys., 80, p. 3265
Cave, R. J., Newton, M. D., (1996) Chem. Phys. Lett., 249, p. 15
Donkers, R. L., Maran, F., Wayner, D. D. M., Workentin, M. S., (1999) J. Am. Chem. Soc., 121, p. 7239
Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model
The main structural and electronic factors playing a role in intramolecular dissociative electron transfer of a simple donor - peptide - acceptor (D - peptide - A) model have been investigated by an integrated computational protocol based on the density functional theory, its time-dependent extension, and the polarizable continuum model. Our results allow us to elucidate the electronic states involved in the process and how they are perturbed by the orientation of the donor and the acceptor with respect to the peptide chain and by the presence of the solvent. We also report a semiquantitative estimation of the rate constant governing electron transfer obtained by a direct quantum mechanical evaluation of all the terms entering the kinetic expressions based on the Marcus theory and its extensions. © 2006 American Chemical Society.
The main structural and electronic factors playing a role in intramolecular dissociative electron transfer of a simple donor - peptide - acceptor (D - peptide - A) model have been investigated by an integrated computational protocol based on the density functional theory, its time-dependent extension, and the polarizable continuum model. Our results allow us to elucidate the electronic states involved in the process and how they are perturbed by the orientation of the donor and the acceptor with respect to the peptide chain and by the presence of the solvent. We also report a semiquantitative estimation of the rate constant governing electron transfer obtained by a direct quantum mechanical evaluation of all the terms entering the kinetic expressions based on the Marcus theory and its extensions. © 2006 American Chemical Society.
Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model
No results. Nessun risultato. |
Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model
Martínez-fernández L, Esposito L, Improta R
* Studying the excited electronic states of guanine rich DNA quadruplexes by quantum mechanical methods: main achievements and perspectives (9 visite)
Photochem Photobiol Sci (ISSN: 1474-905xlinking), 2020 Apr 15; 19(4): 436-444.
Impact Factor: 2.831
Dettagli Esporta in BibTeX Esporta in EndNote
La Rosa C, Condorelli M, Compagnini G, Lolicato F, Milardi D, Do TN, Karttunen M, Pannuzzo M, Ramamoorthy A, Fraternali F, Collu F, Rezaei H, Strodel B, Raudino A
* Symmetry-breaking transitions in the early steps of protein self-assembly (9 visite)
Eur Biophys J (ISSN: 0175-7571linking), 2020 Mar; 49(2): 175-191.
Impact Factor: 2.094
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Gustavsson T, Diederichsen U, Improta R
* Excited State Dynamics of 8-Vinyldeoxyguanosine In Aqueous Solution Studied by Time-Resolved Fluorescence Spectroscopy and Quantum Mechanical Calculations (9 visite)
Molecules (ISSN: 1420-3049linking), 2020 Feb 13; 25(4): N/D-N/D.
Impact Factor: 3.267
Dettagli Esporta in BibTeX Esporta in EndNote
Vincenzi M, Mercurio FA, Leone M
* About TFE: Old and New Findings (28 visite)
Curr Protein Pept Sci (ISSN: 1389-2037linking), 2019; 20 (5 ): 425-451.
Impact Factor:
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Banyasz A, Markovitsi D, Improta R
* Topology Controls the Electronic Absorption and Delocalization of Electron Holes in Guanine Quadruplexes (201 visite)
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Oct 12; 24(57): 15185-15189.
Impact Factor: 5.476
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Martinez-fernandez L, Improta R, Ketola TM, Balty C, Markovitsi D
* Radicals generated in alternating guanine-cytosine duplexes by direct absorption of low-energy UV radiation (230 visite)
Phys Chem Chem Phys (ISSN: 1463-9084electronic, 1463-9076linking), 2018 Aug 22; 20(33): 21381-21389.
Impact Factor: 3.454
Dettagli Esporta in BibTeX Esporta in EndNote
Conti I, Martinez-fernandez L, Esposito L, Hofinger S, Nenov A, Garavelli M, Improta R
* Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA Duplex (237 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 Oct 26; 23(60): 15177-15188.
Impact Factor: 5.16
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Pepino AJ, Segarra-marti J, Jovaisaite J, Vaya I, Nenov A, Markovitsi D, Gustavsson T, Banyasz A, Garavelli M, Improta R
* Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy (201 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2017 Jun 14; 139(23): 7780-7791.
Impact Factor: 14.357
Dettagli Esporta in BibTeX Esporta in EndNote
Martínez-fernández L, Granucci G, Pollum M, Crespo-hernández CE, Persico M, Corral I
* Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs (163 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017; 23(11): 2619-2627.
Impact Factor: 5.16
Dettagli Esporta in BibTeX Esporta in EndNote
Monti S, Cocozza S, Borrelli P, Straub S, Ladd ME, Salvatore M, Tedeschi E, Palma G
* MAVEN: An Algorithm for Multi-Parametric Automated Segmentation of Brain Veins from Gradient Echo Acquisitions (153 visite) (PDF 171 visite)
Ieee T Med Imaging (ISSN: 0278-0062), 2017; 36(5): 1054-1065.
Impact Factor: 6.131
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Pepino AJ, Segarra-marti J, Banyasz A, Garavelli M, Improta R
* Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models (170 visite)
J Chem Theory Comput (ISSN: 1549-9618, 1549-9626electronic), 2016 Sep 13; 12(9): 4430-4439.
Impact Factor: 5.245
Dettagli Esporta in BibTeX Esporta in EndNote
Avitabile C, D'Andrea LD, Saviano M, Olivieri M, Cimmino A, Romanelli A
* Binding studies of antimicrobial peptides to Escherichia coli cells (313 visite)
Biochem Bioph Res Co (ISSN: 0006-291x), 2016 Sep 09; 478(1): 149-153.
Impact Factor: 2.466
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Zhang Y, De La Harpe K, Beckstead AA, Kohler B, Improta R
* Photoinduced long-lived charge transfer excited states in AT-DNA strands (132 visite)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2016 Aug 21; 18(31): 21241-21245.
Impact Factor: 4.123
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Santoro F, Blancafort L
* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (295 visite)
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Impact Factor: 47.928
Dettagli Esporta in BibTeX Esporta in EndNote
Zhang Y, de La Harpe K, Beckstead AA, Improta R, Kohler B
* UV-Induced Proton Transfer between DNA Strands (269 visite) (PDF 193 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015 Jun 10; 137(22): 7059-7062.
Impact Factor: 13.038
Dettagli Esporta in BibTeX Esporta in EndNote
Calce E, Monfregola L, Saviano M, De Luca S
* HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor (483 visite)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 May 20; 22(21): 2525-2538.
Impact Factor: 3.455
Dettagli Esporta in BibTeX Esporta in EndNote
GrassoG, Satriano C, Milardi D
* A neglected modulator of insulin-degrading enzyme activity and conformation: The pH (334 visite)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2015; 203-204: 33-40.
Impact Factor: 2.363
Dettagli Esporta in BibTeX Esporta in EndNote
Muñoz-Losa A, Markovitsi D, Improta R
* A State-Specific PCM-DFT method to include dynamic solvent effects in the calculation of ionization energies: Application to DNA bases (191 visite)
Chem Phys Lett (ISSN: 0009-2614), 2015; 634: 20-24.
Impact Factor: 1.86
Dettagli Esporta in BibTeX Esporta in EndNote
Petrone A, Cerezo J, Ferrer FJA, Donati G, Improta R, Rega N, Santoro F
* Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches (338 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5426-5438.
Impact Factor: 2.883
Dettagli Esporta in BibTeX Esporta in EndNote
Mercurio FA, Di Natale C, Pirone L, Scognamiglio PL, Marasco D, Pedone EM, Saviano M, Leone M
* Peptide Fragments of Odin-Sam1: Conformational Analysis and Interaction Studies with EphA2-Sam (379 visite)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2015; 16(11): 1629-1636.
Impact Factor: 2.85
Dettagli Esporta in BibTeX Esporta in EndNote
Picone D, Donnarumma F, Ferraro G, Russo Krauss I, Fagagnini A, Gotte G, Merlino A
* Platinated oligomers of bovine pancreatic ribonuclease: Structure and stability (351 visite)
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2015; 146: 37-43.
Impact Factor: 3.205
Dettagli Esporta in BibTeX Esporta in EndNote
Huix-Rotllant M, Brazard J, Improta R, Burghardt I, Markovitsi D
* Stabilization of mixed frenkel-charge transfer excitons extended across both strands of guanine-cytosine DNA duplexes (286 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2015; 6(12): 2247-2251.
Impact Factor: 8.539
Dettagli Esporta in BibTeX Esporta in EndNote
Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (263 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Impact Factor: 2.883
Dettagli Esporta in BibTeX Esporta in EndNote
Di Fiore A, Alterio V, Monti SM, De Simone G, D’Ambrosio K
* Thermostable carbonic anhydrases in biotechnological applications (333 visite)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067linking), 2015; 16(7): 15456-15480.
Impact Factor: 3.257
Dettagli Esporta in BibTeX Esporta in EndNote
Zhang Y, Dood J, Beckstead AA, Li X-B, Nguyen KV, Burrows CJ, Improta R, Kohler B
* Efficient UV-induced charge separation and recombination in an 8-oxoguanine-containing dinucleotide (268 visite)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Sep 12; 111(32): 11612-11617.
Impact Factor: 9.674
Dettagli Esporta in BibTeX Esporta in EndNote
Balasco N, Pirone L, Smaldone G, Di Gaetano S, Esposito L, Pedone E, Vitagliano L
* Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations (271 visite)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Jul; 1844(7): 1289-1298.
Impact Factor: 4.882
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R
* Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (215 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jun 23; 20(26): 8106-8115.
Impact Factor: 5.731
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S
* Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra (190 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2014 Jun 5; 5(11): 1806-1811.
Impact Factor: 7.458
Dettagli Esporta in BibTeX Esporta in EndNote
Russo Krauss I, Merlino A, Vergara A, Sica F
* An overview of biological macromolecule crystallization (438 visite)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2013 May 31; 14(6): 11643-11691.
Impact Factor: 2.339
Dettagli Esporta in BibTeX Esporta in EndNote
Diana D, Di Stasi R, De Rosa L, Isernia C, D'Andrea LD, Fattorusso R
* Structural investigation of the VEGF receptor interaction with a helical antagonist peptide (291 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2013 Apr; 19(4): 214-219.
Impact Factor: 1.862
Dettagli Esporta in BibTeX Esporta in EndNote
Calce E, Monfregola L, Sandomenico A, Saviano M, De Luca S
* Fluorescence study for selecting specific ligands toward HER2 receptor: An example of receptor fragment approach (352 visite)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2013 Mar; 61: 116-121.
Impact Factor: 3.432
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R
* Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (228 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
Impact Factor: 5.696
Dettagli Esporta in BibTeX Esporta in EndNote
Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
* Selective X-ray-induced NO photodissociation in haemoglobin crystals: evidence from a Raman-assisted crystallographic study (262 visite)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jan; 69: 137-140.
Impact Factor: 7.232
Dettagli Esporta in BibTeX Esporta in EndNote
Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
* Selective X-Ray Induced No-Photodissociation In Hemoglobin Crystals: Evidence From A Raman Assisted-Crystallographic Study (252 visite)
Acta Cryst D 69, 2013; 1: 137-140.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Cesarelli M, Bifulco P, Romano M, Fratini A, D'Addio G, Clemente F
* Spline interpolation to evaluate foveation parameters in Congenital Nystagmus recordings (154 visite)
2013 E Health And Bioengineering Conference, 2013; N/D: N/D-N/D.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Improta R, Avila Ferrer FJ, Segado M, Lami A
* The interplay between neutral exciton and charge transfer states in single-strand polyadenine: A quantum dynamical investigation (347 visite)
Photochem Photobiol Sci (ISSN: 1474-905x), 2013; 12(8): 1527-1543.
Impact Factor: 2.939
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R
* Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study (249 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
Impact Factor: 3.607
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (300 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
Dettagli Esporta in BibTeX Esporta in EndNote
Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
* Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy (345 visite)
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
Impact Factor: 4.814
Dettagli Esporta in BibTeX Esporta in EndNote
Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
* Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (193 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
Impact Factor: 9.907
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* Interplay between "neutral" and "charge-transfer" excimers rules the excited state decay in adenine-rich polynucleotides (197 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2011 Dec 9; 50(50): 12016-12019.
Impact Factor: 13.455
Dettagli Esporta in BibTeX Esporta in EndNote
Malgieri G, Zaccaro L, Leone M, Bucci E, Esposito S, Baglivo I, Del Gatto A, Russo L, Scandurra R, Pedone PV, Fattorusso R, Isernia C
* Zinc to Cadmium Replacement in the A. thaliana SUPERMAN Cys(2)His(2) Zinc Finger Induces Structural Rearrangements of Typical DNA Base Determinant Positions (305 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2011 Nov; 95(11): 801-810.
Impact Factor: 2.87
Dettagli Esporta in BibTeX Esporta in EndNote
Nardelli A, Castaldi E, Ortosecco G, Speranza A, Storto G, Pace L, Salvatore M
* Enhancement of reaction conditions for the radiolabelling of DOTA-peptides with high activities of yttrium-90 (363 visite)
Applied Radiation And Isotopes (ISSN: 1872-9800, 0969-8043, 0969-8043linking), 2011 Jan; 69(1): 52-55.
Impact Factor: 1.172
Dettagli Esporta in BibTeX Esporta in EndNote
Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
* Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method (255 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.
Impact Factor: 3.603
Dettagli Esporta in BibTeX Esporta in EndNote
Abbate M, Casella G, Fiore T, Grasso G, Pellerito C, Scopelliti M, Spinella A, Pellerito L
* Structural characterization of triorganotin(IV) complexes with sodium fusidate and DFT calculations (220 visite)
J Organomet Chem (ISSN: 0022-328x), 2010 May 1; 695(9): 1405-1413.
Impact Factor: 2.205
Dettagli Esporta in BibTeX Esporta in EndNote
Mazzaglia A, Micali N, Scolaro LM, Attanasio F, Magrí A, Pappalardo G, Villari V
* Aggregation properties of the peptide fragments derived from the 17-29 region of the human and rat IAPP: A comparative study with two PEG-conjugated variants of the human sequence (384 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Jan 21; 114(2): 705-713.
Impact Factor: 3.603
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V, Lami A, Santoro F
* Quantum dynamics of the ultrafast ππ*/nπ* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile (232 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2009 Oct 29; 113(43): 14491-14503.
Impact Factor: 3.471
Dettagli Esporta in BibTeX Esporta in EndNote
Moccia M, Musumeci D, Roviello GN, Fusco S, Valente M, Bucci EM, Sapio R, Pedonea C, Netti PA
* Preliminary studies on noncovalent hyperbranched polymers based on PNA and DNA building blocks (494 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Oct; 15(10): 647-653.
Impact Factor: 1.807
Dettagli Esporta in BibTeX Esporta in EndNote
Arnesano F, Scintilla S, Calò V, Bonfrate E, Ingrosso C, Losacco M, Pellegrino T, Rizzarelli E, Natile G
* Copper-triggered aggregation of ubiquitin (461 visite)
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2009 Sep 16; 4(9): e7052-e7052.
Impact Factor: 4.351
Dettagli Esporta in BibTeX Esporta in EndNote
Angeli C, Improta R, Santoro F
* On the controversial nature of the 1 B-1(u) and 2 B-1(u) states of trans-stilbene: The n-electron valence state perturbation theory approach (256 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online, 0021-9606printed), 2009 May 7; 130(17): N/D-N/D.
Impact Factor: 3.093
Dettagli Esporta in BibTeX Esporta in EndNote
Liuzzi R, Salvatore M, Cella L
* Estimation of free electron fraction value p for a parallel-plate ionization chamber in high dose per pulse IORT electron beams (264 visite)
World Congress On Medical Physics And Biomedical Engineering (ISSN: 1680-07379783642034725), 2009; 25(1): 998-1000.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA
* Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (243 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
Impact Factor: 8.58
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Improta R
* The Excited States Decay Of The A-T Dna: A Pcm/Td-Dft Study In Aqueous Solution Of The (9-Methyl-Adenine) 2 (1-Methyl-Thymine) 2 Stacked Tetramer (209 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245.
Impact Factor: 8.58
Dettagli Esporta in BibTeX Esporta in EndNote
Sinibaldi F, Fiorucci L, Patriarca A, Lauceri R, Ferri T, Coletta M, Santucci R
* Insights into cytochrome c-cardiolipin interaction. Role played by ionic strength (270 visite)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2008 Jul 1; 47(26): 6928-6935.
Impact Factor: 3.379
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Gustavsson T, Keszei E, Improta R, Markovitsi D
* Effect of amino substitution on the excited state dynamics of uracil (283 visite)
Photochem Photobiol Sci (ISSN: 1474-905x), 2008 Jul; 7(7): 765-768.
Impact Factor: 2.144
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Improta R
* Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case (235 visite)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic, 0192-8651linking), 2008 Apr 30; 29(6): 957-964.
Impact Factor: 3.39
Dettagli Esporta in BibTeX Esporta in EndNote
Rotondo A, Rotondo E, Casella GA, Grasso G
* Tin(IV) catalyzed D-galacturonic acid anomerization (291 visite)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2008 Feb 7; (5): 596-601.
Impact Factor: 3.58
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Scalmani G, Frisch MJ, Barone V
* Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach (289 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Sep 21; 127(7): N/D-N/D.
Impact Factor: 3.044
Dettagli Esporta in BibTeX Esporta in EndNote
Agostini S, Bolzati C, Didonè E, Cavazza-Ceccato M, Refosco F, Aloj L, Arra C, Aurilio M, Tornesello AL, Tesauro D, Morelli G
* The (Tc(N)(PNP))2+ metal fragment labeled cholecystokinin-8 (CCK8) peptide for CCK-2 receptors imaging: In vitro and in vivo studies (328 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2007 Apr; 13(4): 211-219.
Impact Factor: 1.768
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Improta R, Lami A, Bloino J, Barone V
* Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (227 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Feb 28; 126(8): 084509-084509.
Impact Factor: 3.044
Dettagli Esporta in BibTeX Esporta in EndNote
Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
* Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments (378 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V, Santoro F
* Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153 (272 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2007; 46(3): 405-408.
Impact Factor: 10.031
Dettagli Esporta in BibTeX Esporta in EndNote
Aloj L, Aurilio M, Rinaldi V, D'Ambrosio L, Tesauro D, Peitl PK, Maina T, Mansi R, Von Guggenberg E, Joosten L, Sosabowski JK, Breeman WA, De Blois E, Koelewijn S, Melis M, Waser B, Beetschen K, Reubi JC, De Jong M
* The EEE project (371 visite)
Proc Int Cosm Ray Conf Icrc Universidad Nacional Autonoma De Mexico, 2007; 5(HEPART2): 977-980.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (236 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Improta R
* Singlet excited state dynamics of uracil and thymine derivatives: A femtosecond fluorescence upconversion study in acetonitrile (218 visite)
Chem Phys Lett (ISSN: 0009-2614), 2006 Oct 5; 429(4-6): 551-557.
Impact Factor: 2.462
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V, Scalmani G, Frisch MJ
* A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution (268 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D.
Impact Factor: 3.166
Dettagli Esporta in BibTeX Esporta in EndNote
Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (307 visite)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
Dettagli Esporta in BibTeX Esporta in EndNote
Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (290 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Barone V, Improta R
* Solvent effect on the singlet excited-state dynamics of 5-fluorouracil in acetonitrile as compared with water (276 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jul 6; 110(26): 12843-12847.
Impact Factor: 4.115
Dettagli Esporta in BibTeX Esporta in EndNote
Mazzarella L, Bonomi G, Lubrano MC, Merlino A, Riccio A, Vergara A, Vitagliano L, Verde C, Di Prisco G
* Minimal structural requirements for root effect: Crystal structure of the cathodic hemoglobin isolated from the Antarctic fish Trematomus newnesi (400 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Feb 1; 62(2): 316-321.
Impact Factor: 3.73
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R
* Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives (306 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
Impact Factor: 7.696
Dettagli Esporta in BibTeX Esporta in EndNote
Bucci E, Vitagliano L, Barone R, Sorrentino S, D'Alessio G, Graziano G
* On the thermal stability of the two dimeric forms of ribonuclease (313 visite)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2005 Jul 1; 116(2): 89-95.
Impact Factor: 1.925
Dettagli Esporta in BibTeX Esporta in EndNote
Picone D, Di Fiore A, Ercole C, Franzese M, Sica F, Tomaselli S, Mazzarella L
* The role of the hinge loop in domain swapping - The special case of bovine seminal ribonuclease (295 visite)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 Apr 8; 280(14): 13771-13778.
Impact Factor: 5.854
Dettagli Esporta in BibTeX Esporta in EndNote
De Luca S, Sanseverino M, Zocchi I, Pedone C, Morelli G, Ragone R
* Receptor fragment approach to the binding between CCK8 peptide and cholecystokinin receptors: A fluorescence study on type B receptor fragment CCKB-R (352-379) (297 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005 Mar; 77(4): 205-211.
Impact Factor: 2.545
Dettagli Esporta in BibTeX Esporta in EndNote
Saviano M, Isernia C, Bassarello C, Di Lello P, Galdiero S, Mierke DF, Benedetti E, Pedone C
* Conformational analysis by NMR and distance geometry techniques of a peptide mimetic of the third helix of the Antennapedia homeodomain (351 visite)
J Pept Res (ISSN: 1397-002x), 2005 Feb; 65(2): 200-208.
Impact Factor: 1.741
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Antonello S, Formaggio F, Maran F, Rega N, Barone V
* Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides (479 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2005 Jan 20; 109(2): 1023-1033.
Impact Factor: 4.033
Dettagli Esporta in BibTeX Esporta in EndNote
Vergara A
* Distinct diffusion in macromolecule-solvent mixtures (207 visite)
Macromol Theory Simul (ISSN: 1022-1344), 2005; 14(1): 21-25.
Impact Factor: 1.544
Dettagli Esporta in BibTeX Esporta in EndNote
Farrera-Sinfreu J, Zaccaro L, Vidal D, Salvatella X, Giralt E, Pons M, Albericio F, Royo M
* A New Class of Foldamers Based on cis-γ-Amino-L-proline (351 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2004 May 19; 126(19): 6048-6057.
Impact Factor: 6.903
Dettagli Esporta in BibTeX Esporta in EndNote
Clemente F, D'Avino E, Guaragno M, Menichetti A
* An on line technique to detect cardiac output variations and cardiovascular performances during abdominal aortic surgery (354 visite)
Journal Of Clinical Monitoring And Computing (ISSN: 1387-1307), 2004 Apr; 18(2): 81-87.
Impact Factor: 0.888
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals (237 visite)
Chem Rev (ISSN: 0009-2665), 2004 Mar; 104(3): 1231-1253.
Impact Factor: 20.233
Dettagli Esporta in BibTeX Esporta in EndNote
De Simone G, Mandrich L, Menchise V, Giordano V, Febbraio F, Rossi M, Pedone C, Manco G
* A substrate-induced switch in the reaction mechanism of a thermophilic esterase - Kinetic evidences and structural basis (334 visite)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2004 Feb 20; 279(8): 6815-6823.
Impact Factor: 6.355
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (354 visite)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
Impact Factor: 3.168
Dettagli Esporta in BibTeX Esporta in EndNote
Barone V, Formaggio F, Improta R, Polo F, Maran F
* Electron transfer to and conformational preferences of Aib oligo-peptides (317 visite)
Proc Electrochem Soc, 2004; 10: 29-32.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Cimino P, Improta R, Bifulco G, Riccio R, Gomez-paloma L, Barone V
* Nucleophilic Cyclopropane Ring Opening in Duocarmycin SA Derivatives by Methanol under Acid Conditions: A Quantum Mechanical Study in the Gas-Phase and in Solution (369 visite)
J Org Chem (ISSN: 0022-3263, 0022-3263linking), 2004; 69(8): 2816-2824.
Impact Factor: 3.462
Dettagli Esporta in BibTeX Esporta in EndNote
De Luca S, Ragone R, Bracco C, Digilio G, Aloj L, Tesauro D, Saviano M, Pedone C, Morelli G
* A cyclic CCK8 analogue selective for the cholecystokinin type A receptor: design, synthesis, NMR structure and binding measurements (375 visite)
Chembiochem (ISSN: 1439-7633, 1439-4227, 1439-7633electronic), 2003 Nov 7; 4(11): 1176-1187.
Impact Factor: 3.992
Dettagli Esporta in BibTeX Esporta in EndNote
De Luca S, Ragone R, Bracco C, Digilio G, Tesauro D, Saviano M, Pedone C, Morelli G
* The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies (261 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2003 Mar; 9(3): 156-169.
Impact Factor: 1.377
Dettagli Esporta in BibTeX Esporta in EndNote
D'Amore M, Improta R, Barone V
* Conformational behavior and magnetic properties of a nitroxide amino acid derivative in vacuo and in aqueous solution (185 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2003; 107(32): 6264-6269.
Impact Factor: 2.792
Dettagli Esporta in BibTeX Esporta in EndNote
Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
* Global and local motions in ribonuclease A: A molecular dynamics study (339 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.
Impact Factor: 2.372
Dettagli Esporta in BibTeX Esporta in EndNote
Langella E, Improta R, Barone V
* Conformational and spectroscopic analysis of the tyrosyl radical dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model (261 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Sep 25; 124(38): 11531-11540.
Impact Factor: 6.201
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Mele F, Crescenzi O, Benzi C, Barone V
* Understanding the role of stereoelectronic effects in determining collagen stability. 2. A quantum mechanical/molecular mechanical study of (Proline-Proline-Glycine)n polypeptides (304 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jul 3; 124(26): 7857-7865.
Impact Factor: 6.201
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Kudin KN, Scuseria GE, Barone V
* Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions (208 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jan 9; 124(1): 113-120.
Impact Factor: 6.201
Dettagli Esporta in BibTeX Esporta in EndNote
Aloj L, Panico M, Caracó C, Zannetti A, Del Vecchio S, Di Nuzzo C, Arra C, Morelli G, Tesauro D, De Luca S, Pedone C, Salvatore M
* Radiolabeling approaches for cholecystokinin B receptor imaging (438 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002; 66(6): 370-380.
Impact Factor: 2.372
Dettagli Esporta in BibTeX Esporta in EndNote
Saracino GAA, Tedeschi A, D'Errico G, Improta R, Franco L, Ruzzi M, Corvaia C, Barone V
* Solvent polarity and pH effects on the magnetic properties of ionizable nitroxide radicals: A combined computational and experimental study of 2, 2, 5, 5-tetramethyl-3-carboxypyrrolidine and 2, 2, 6, 6-tetramethyl-4-carboxypiperidine nitroxides (227 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2002; 106(44): 10700-10706.
Impact Factor: 2.765
Dettagli Esporta in BibTeX Esporta in EndNote
Saviano G, Rossi F, Benedetti E, Pedone C, Mierke DF, Maione A, Zanotti G, Tancredi T, Saviano M
* Structural consequences of metal complexation of cyclo[Pro-Phe-Phe-Ala-Xaa]2 decapeptides (350 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2001 Mar 16; 7(6): 1176-1183.
Impact Factor: 4.614
Dettagli Esporta in BibTeX Esporta in EndNote
Ragone R, De Luca S, Tesauro D, Pedone C, Morelli G
Fluorescence studies on the binding between 1-47 fragment of cholecystokinin receptor CCKA-R(1-47) and nonsulfated cholecystokinin octapeptide CCK8 (362 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 47-53.
Impact Factor: 2.405
Dettagli Esporta in BibTeX Esporta in EndNote
Vitagliano L, Adinolfi S, Sica F, Merlino A, Zagari A, Mazzarella L
A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease (253 visite)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Oct 29; 293(3): 569-577.
Impact Factor: 5.501
Dettagli Esporta in BibTeX Esporta in EndNote
Berisio R, Lamzin VS, Sica F, Wilson KS, Zagari A, Mazzarella L
Protein titration in the crystal state (241 visite)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Oct 1; 292(4): 845-854.
Impact Factor: 5.501
Dettagli Esporta in BibTeX Esporta in EndNote
Gallo P, Rossi F, Saviano M, Pedone C, Colonna G, Ragone R
Specific interaction between bovine cyclophilin A and synthetic analogues of cyclolinopeptide (321 visite)
Journal Of Biochemistry (ISSN: 0021-924x), 1998 Nov; 124(5): 880-885.
Impact Factor: 2.189
Dettagli Esporta in BibTeX Esporta in EndNote
De Simone G, Lombardi A, Galdiero S, Nastri F, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V
Hirunorms Are True Hirudin Mimetics. The Crystal Structure Of Human Alpha-Thrombin-Hirunorm V Complex (416 visite)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1998 Feb; 7(2): 243-253.
Impact Factor: 4.44
Dettagli Esporta in BibTeX Esporta in EndNote
Levchenko A, Mehta B, Spengler BA, Narkar A, Fonti R, Biedler JL, Tsuruo T, Larson SM
Measurement of P-glycoprotein expression in multidrug-resistant human neuroblastoma cell lines using self-competitive binding assay (223 visite)
Anal Biochem (ISSN: 0003-2697, 1096-0309electronic), 1996 May 1; 236(2): 338-343.
Impact Factor: 2.017
Dettagli Esporta in BibTeX Esporta in EndNote
Zanotti G, Maione A, Rossi F, Saviano M, Pedone C, Tancredi T
BIOACTIVE PEPTIDES - CONFORMATIONAL STUDY OF A CYSTINYL CYCLOHEPTAPEPTIDE IN ITS FREE AND CALCIUM COMPLEXED FORMS (487 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Jul; 33(7): 1083-1091.
Impact Factor: 2.425
Dettagli Esporta in BibTeX Esporta in EndNote
Di Blasio B, Lombardi A, D'Auria G, Saviano M, Isernia C, Maglio O, Paolillo L, Pedone C, Pavone V
Beta-Alanine Containing Peptides: Gamma-Turns In Cyclotetrapeptides (478 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Apr; 31(10): 621-631.
Impact Factor: 2.425
Dettagli Esporta in BibTeX Esporta in EndNote
Vai a fine pagina Versione per copia e incolla facile Esporta tutto in BibTeX Esporta tutto in EndNote
Martínez-fernández L, Esposito L, Improta R
* Studying the excited electronic states of guanine rich DNA quadruplexes by quantum mechanical methods: main achievements and perspectives (9 visite)
Photochem Photobiol Sci (ISSN: 1474-905xlinking), 2020 Apr 15; 19(4): 436-444.
Impact Factor: 2.831
Dettagli Esporta in BibTeX Esporta in EndNote
La Rosa C, Condorelli M, Compagnini G, Lolicato F, Milardi D, Do TN, Karttunen M, Pannuzzo M, Ramamoorthy A, Fraternali F, Collu F, Rezaei H, Strodel B, Raudino A
* Symmetry-breaking transitions in the early steps of protein self-assembly (9 visite)
Eur Biophys J (ISSN: 0175-7571linking), 2020 Mar; 49(2): 175-191.
Impact Factor: 2.094
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Gustavsson T, Diederichsen U, Improta R
* Excited State Dynamics of 8-Vinyldeoxyguanosine In Aqueous Solution Studied by Time-Resolved Fluorescence Spectroscopy and Quantum Mechanical Calculations (9 visite)
Molecules (ISSN: 1420-3049linking), 2020 Feb 13; 25(4): N/D-N/D.
Impact Factor: 3.267
Dettagli Esporta in BibTeX Esporta in EndNote
Vincenzi M, Mercurio FA, Leone M
* About TFE: Old and New Findings (28 visite)
Curr Protein Pept Sci (ISSN: 1389-2037linking), 2019; 20 (5 ): 425-451.
Impact Factor:
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Banyasz A, Markovitsi D, Improta R
* Topology Controls the Electronic Absorption and Delocalization of Electron Holes in Guanine Quadruplexes (201 visite)
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Oct 12; 24(57): 15185-15189.
Impact Factor: 5.476
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Martinez-fernandez L, Improta R, Ketola TM, Balty C, Markovitsi D
* Radicals generated in alternating guanine-cytosine duplexes by direct absorption of low-energy UV radiation (230 visite)
Phys Chem Chem Phys (ISSN: 1463-9084electronic, 1463-9076linking), 2018 Aug 22; 20(33): 21381-21389.
Impact Factor: 3.454
Dettagli Esporta in BibTeX Esporta in EndNote
Conti I, Martinez-fernandez L, Esposito L, Hofinger S, Nenov A, Garavelli M, Improta R
* Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA Duplex (237 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 Oct 26; 23(60): 15177-15188.
Impact Factor: 5.16
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Pepino AJ, Segarra-marti J, Jovaisaite J, Vaya I, Nenov A, Markovitsi D, Gustavsson T, Banyasz A, Garavelli M, Improta R
* Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy (201 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2017 Jun 14; 139(23): 7780-7791.
Impact Factor: 14.357
Dettagli Esporta in BibTeX Esporta in EndNote
Martínez-fernández L, Granucci G, Pollum M, Crespo-hernández CE, Persico M, Corral I
* Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs (163 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017; 23(11): 2619-2627.
Impact Factor: 5.16
Dettagli Esporta in BibTeX Esporta in EndNote
Monti S, Cocozza S, Borrelli P, Straub S, Ladd ME, Salvatore M, Tedeschi E, Palma G
* MAVEN: An Algorithm for Multi-Parametric Automated Segmentation of Brain Veins from Gradient Echo Acquisitions (153 visite) (PDF 171 visite)
Ieee T Med Imaging (ISSN: 0278-0062), 2017; 36(5): 1054-1065.
Impact Factor: 6.131
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Pepino AJ, Segarra-marti J, Banyasz A, Garavelli M, Improta R
* Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models (170 visite)
J Chem Theory Comput (ISSN: 1549-9618, 1549-9626electronic), 2016 Sep 13; 12(9): 4430-4439.
Impact Factor: 5.245
Dettagli Esporta in BibTeX Esporta in EndNote
Avitabile C, D'Andrea LD, Saviano M, Olivieri M, Cimmino A, Romanelli A
* Binding studies of antimicrobial peptides to Escherichia coli cells (313 visite)
Biochem Bioph Res Co (ISSN: 0006-291x), 2016 Sep 09; 478(1): 149-153.
Impact Factor: 2.466
Dettagli Esporta in BibTeX Esporta in EndNote
Martinez-fernandez L, Zhang Y, De La Harpe K, Beckstead AA, Kohler B, Improta R
* Photoinduced long-lived charge transfer excited states in AT-DNA strands (132 visite)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2016 Aug 21; 18(31): 21241-21245.
Impact Factor: 4.123
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Santoro F, Blancafort L
* Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases (295 visite)
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.
Impact Factor: 47.928
Dettagli Esporta in BibTeX Esporta in EndNote
Zhang Y, de La Harpe K, Beckstead AA, Improta R, Kohler B
* UV-Induced Proton Transfer between DNA Strands (269 visite) (PDF 193 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2015 Jun 10; 137(22): 7059-7062.
Impact Factor: 13.038
Dettagli Esporta in BibTeX Esporta in EndNote
Calce E, Monfregola L, Saviano M, De Luca S
* HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor (483 visite)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 May 20; 22(21): 2525-2538.
Impact Factor: 3.455
Dettagli Esporta in BibTeX Esporta in EndNote
GrassoG, Satriano C, Milardi D
* A neglected modulator of insulin-degrading enzyme activity and conformation: The pH (334 visite)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2015; 203-204: 33-40.
Impact Factor: 2.363
Dettagli Esporta in BibTeX Esporta in EndNote
Muñoz-Losa A, Markovitsi D, Improta R
* A State-Specific PCM-DFT method to include dynamic solvent effects in the calculation of ionization energies: Application to DNA bases (191 visite)
Chem Phys Lett (ISSN: 0009-2614), 2015; 634: 20-24.
Impact Factor: 1.86
Dettagli Esporta in BibTeX Esporta in EndNote
Petrone A, Cerezo J, Ferrer FJA, Donati G, Improta R, Rega N, Santoro F
* Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches (338 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5426-5438.
Impact Factor: 2.883
Dettagli Esporta in BibTeX Esporta in EndNote
Mercurio FA, Di Natale C, Pirone L, Scognamiglio PL, Marasco D, Pedone EM, Saviano M, Leone M
* Peptide Fragments of Odin-Sam1: Conformational Analysis and Interaction Studies with EphA2-Sam (379 visite)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2015; 16(11): 1629-1636.
Impact Factor: 2.85
Dettagli Esporta in BibTeX Esporta in EndNote
Picone D, Donnarumma F, Ferraro G, Russo Krauss I, Fagagnini A, Gotte G, Merlino A
* Platinated oligomers of bovine pancreatic ribonuclease: Structure and stability (351 visite)
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2015; 146: 37-43.
Impact Factor: 3.205
Dettagli Esporta in BibTeX Esporta in EndNote
Huix-Rotllant M, Brazard J, Improta R, Burghardt I, Markovitsi D
* Stabilization of mixed frenkel-charge transfer excitons extended across both strands of guanine-cytosine DNA duplexes (286 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2015; 6(12): 2247-2251.
Impact Factor: 8.539
Dettagli Esporta in BibTeX Esporta in EndNote
Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S
* TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids (263 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5476-5489.
Impact Factor: 2.883
Dettagli Esporta in BibTeX Esporta in EndNote
Di Fiore A, Alterio V, Monti SM, De Simone G, D’Ambrosio K
* Thermostable carbonic anhydrases in biotechnological applications (333 visite)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067linking), 2015; 16(7): 15456-15480.
Impact Factor: 3.257
Dettagli Esporta in BibTeX Esporta in EndNote
Zhang Y, Dood J, Beckstead AA, Li X-B, Nguyen KV, Burrows CJ, Improta R, Kohler B
* Efficient UV-induced charge separation and recombination in an 8-oxoguanine-containing dinucleotide (268 visite)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Sep 12; 111(32): 11612-11617.
Impact Factor: 9.674
Dettagli Esporta in BibTeX Esporta in EndNote
Balasco N, Pirone L, Smaldone G, Di Gaetano S, Esposito L, Pedone E, Vitagliano L
* Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations (271 visite)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Jul; 1844(7): 1289-1298.
Impact Factor: 4.882
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R
* Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex (215 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jun 23; 20(26): 8106-8115.
Impact Factor: 5.731
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S
* Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra (190 visite)
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2014 Jun 5; 5(11): 1806-1811.
Impact Factor: 7.458
Dettagli Esporta in BibTeX Esporta in EndNote
Russo Krauss I, Merlino A, Vergara A, Sica F
* An overview of biological macromolecule crystallization (438 visite)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2013 May 31; 14(6): 11643-11691.
Impact Factor: 2.339
Dettagli Esporta in BibTeX Esporta in EndNote
Diana D, Di Stasi R, De Rosa L, Isernia C, D'Andrea LD, Fattorusso R
* Structural investigation of the VEGF receptor interaction with a helical antagonist peptide (291 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2013 Apr; 19(4): 214-219.
Impact Factor: 1.862
Dettagli Esporta in BibTeX Esporta in EndNote
Calce E, Monfregola L, Sandomenico A, Saviano M, De Luca S
* Fluorescence study for selecting specific ligands toward HER2 receptor: An example of receptor fragment approach (352 visite)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2013 Mar; 61: 116-121.
Impact Factor: 3.432
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R
* Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (228 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
Impact Factor: 5.696
Dettagli Esporta in BibTeX Esporta in EndNote
Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
* Selective X-ray-induced NO photodissociation in haemoglobin crystals: evidence from a Raman-assisted crystallographic study (262 visite)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jan; 69: 137-140.
Impact Factor: 7.232
Dettagli Esporta in BibTeX Esporta in EndNote
Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
* Selective X-Ray Induced No-Photodissociation In Hemoglobin Crystals: Evidence From A Raman Assisted-Crystallographic Study (252 visite)
Acta Cryst D 69, 2013; 1: 137-140.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Cesarelli M, Bifulco P, Romano M, Fratini A, D'Addio G, Clemente F
* Spline interpolation to evaluate foveation parameters in Congenital Nystagmus recordings (154 visite)
2013 E Health And Bioengineering Conference, 2013; N/D: N/D-N/D.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Improta R, Avila Ferrer FJ, Segado M, Lami A
* The interplay between neutral exciton and charge transfer states in single-strand polyadenine: A quantum dynamical investigation (347 visite)
Photochem Photobiol Sci (ISSN: 1474-905x), 2013; 12(8): 1527-1543.
Impact Factor: 2.939
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R
* Photophysics and photochemistry of thymine deoxy-dinucleotide in water: A PCM/TD-DFT quantum mechanical study (249 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Dec 13; 116(49): 14261-14274.
Impact Factor: 3.607
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Douki T, Improta R, Gustavsson T, Onidas D, Vaya I, Perron M, Markovitsi D
* Electronic excited states responsible for dimer formation upon UV absorption directly by thymine strands: Joint experimental and theoretical study (300 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Sep 12; 134(36): 14834-14845.
Impact Factor: 10.677
Dettagli Esporta in BibTeX Esporta in EndNote
Hua Y, Changenet-Barret P, Improta R, Vaya I, Gustavsson T, Kotlyar AB, Zikich D, Sket P, Plavec J, Markovitsi D
* Cation effect on the electronic excited states of guanine nanostructures studied by time-resolved fluorescence spectroscopy (345 visite)
J Phys Chem C (ISSN: 1932-7447), 2012 Jul 12; 116(27): 14682-14689.
Impact Factor: 4.814
Dettagli Esporta in BibTeX Esporta in EndNote
Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
* Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (193 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
Impact Factor: 9.907
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* Interplay between "neutral" and "charge-transfer" excimers rules the excited state decay in adenine-rich polynucleotides (197 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2011 Dec 9; 50(50): 12016-12019.
Impact Factor: 13.455
Dettagli Esporta in BibTeX Esporta in EndNote
Malgieri G, Zaccaro L, Leone M, Bucci E, Esposito S, Baglivo I, Del Gatto A, Russo L, Scandurra R, Pedone PV, Fattorusso R, Isernia C
* Zinc to Cadmium Replacement in the A. thaliana SUPERMAN Cys(2)His(2) Zinc Finger Induces Structural Rearrangements of Typical DNA Base Determinant Positions (305 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2011 Nov; 95(11): 801-810.
Impact Factor: 2.87
Dettagli Esporta in BibTeX Esporta in EndNote
Nardelli A, Castaldi E, Ortosecco G, Speranza A, Storto G, Pace L, Salvatore M
* Enhancement of reaction conditions for the radiolabelling of DOTA-peptides with high activities of yttrium-90 (363 visite)
Applied Radiation And Isotopes (ISSN: 1872-9800, 0969-8043, 0969-8043linking), 2011 Jan; 69(1): 52-55.
Impact Factor: 1.172
Dettagli Esporta in BibTeX Esporta in EndNote
Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
* Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method (255 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.
Impact Factor: 3.603
Dettagli Esporta in BibTeX Esporta in EndNote
Abbate M, Casella G, Fiore T, Grasso G, Pellerito C, Scopelliti M, Spinella A, Pellerito L
* Structural characterization of triorganotin(IV) complexes with sodium fusidate and DFT calculations (220 visite)
J Organomet Chem (ISSN: 0022-328x), 2010 May 1; 695(9): 1405-1413.
Impact Factor: 2.205
Dettagli Esporta in BibTeX Esporta in EndNote
Mazzaglia A, Micali N, Scolaro LM, Attanasio F, Magrí A, Pappalardo G, Villari V
* Aggregation properties of the peptide fragments derived from the 17-29 region of the human and rat IAPP: A comparative study with two PEG-conjugated variants of the human sequence (384 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Jan 21; 114(2): 705-713.
Impact Factor: 3.603
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V, Lami A, Santoro F
* Quantum dynamics of the ultrafast ππ*/nπ* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile (232 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2009 Oct 29; 113(43): 14491-14503.
Impact Factor: 3.471
Dettagli Esporta in BibTeX Esporta in EndNote
Moccia M, Musumeci D, Roviello GN, Fusco S, Valente M, Bucci EM, Sapio R, Pedonea C, Netti PA
* Preliminary studies on noncovalent hyperbranched polymers based on PNA and DNA building blocks (494 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Oct; 15(10): 647-653.
Impact Factor: 1.807
Dettagli Esporta in BibTeX Esporta in EndNote
Arnesano F, Scintilla S, Calò V, Bonfrate E, Ingrosso C, Losacco M, Pellegrino T, Rizzarelli E, Natile G
* Copper-triggered aggregation of ubiquitin (461 visite)
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2009 Sep 16; 4(9): e7052-e7052.
Impact Factor: 4.351
Dettagli Esporta in BibTeX Esporta in EndNote
Angeli C, Improta R, Santoro F
* On the controversial nature of the 1 B-1(u) and 2 B-1(u) states of trans-stilbene: The n-electron valence state perturbation theory approach (256 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online, 0021-9606printed), 2009 May 7; 130(17): N/D-N/D.
Impact Factor: 3.093
Dettagli Esporta in BibTeX Esporta in EndNote
Liuzzi R, Salvatore M, Cella L
* Estimation of free electron fraction value p for a parallel-plate ionization chamber in high dose per pulse IORT electron beams (264 visite)
World Congress On Medical Physics And Biomedical Engineering (ISSN: 1680-07379783642034725), 2009; 25(1): 998-1000.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA
* Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (243 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.
Impact Factor: 8.58
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Improta R
* The Excited States Decay Of The A-T Dna: A Pcm/Td-Dft Study In Aqueous Solution Of The (9-Methyl-Adenine) 2 (1-Methyl-Thymine) 2 Stacked Tetramer (209 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245.
Impact Factor: 8.58
Dettagli Esporta in BibTeX Esporta in EndNote
Sinibaldi F, Fiorucci L, Patriarca A, Lauceri R, Ferri T, Coletta M, Santucci R
* Insights into cytochrome c-cardiolipin interaction. Role played by ionic strength (270 visite)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2008 Jul 1; 47(26): 6928-6935.
Impact Factor: 3.379
Dettagli Esporta in BibTeX Esporta in EndNote
Banyasz A, Gustavsson T, Keszei E, Improta R, Markovitsi D
* Effect of amino substitution on the excited state dynamics of uracil (283 visite)
Photochem Photobiol Sci (ISSN: 1474-905x), 2008 Jul; 7(7): 765-768.
Impact Factor: 2.144
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Improta R
* Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case (235 visite)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic, 0192-8651linking), 2008 Apr 30; 29(6): 957-964.
Impact Factor: 3.39
Dettagli Esporta in BibTeX Esporta in EndNote
Rotondo A, Rotondo E, Casella GA, Grasso G
* Tin(IV) catalyzed D-galacturonic acid anomerization (291 visite)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2008 Feb 7; (5): 596-601.
Impact Factor: 3.58
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Scalmani G, Frisch MJ, Barone V
* Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach (289 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Sep 21; 127(7): N/D-N/D.
Impact Factor: 3.044
Dettagli Esporta in BibTeX Esporta in EndNote
Agostini S, Bolzati C, Didonè E, Cavazza-Ceccato M, Refosco F, Aloj L, Arra C, Aurilio M, Tornesello AL, Tesauro D, Morelli G
* The (Tc(N)(PNP))2+ metal fragment labeled cholecystokinin-8 (CCK8) peptide for CCK-2 receptors imaging: In vitro and in vivo studies (328 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2007 Apr; 13(4): 211-219.
Impact Factor: 1.768
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Improta R, Lami A, Bloino J, Barone V
* Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (227 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Feb 28; 126(8): 084509-084509.
Impact Factor: 3.044
Dettagli Esporta in BibTeX Esporta in EndNote
Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
* Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments (378 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V, Santoro F
* Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153 (272 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2007; 46(3): 405-408.
Impact Factor: 10.031
Dettagli Esporta in BibTeX Esporta in EndNote
Aloj L, Aurilio M, Rinaldi V, D'Ambrosio L, Tesauro D, Peitl PK, Maina T, Mansi R, Von Guggenberg E, Joosten L, Sosabowski JK, Breeman WA, De Blois E, Koelewijn S, Melis M, Waser B, Beetschen K, Reubi JC, De Jong M
* The EEE project (371 visite)
Proc Int Cosm Ray Conf Icrc Universidad Nacional Autonoma De Mexico, 2007; 5(HEPART2): 977-980.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (236 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Improta R
* Singlet excited state dynamics of uracil and thymine derivatives: A femtosecond fluorescence upconversion study in acetonitrile (218 visite)
Chem Phys Lett (ISSN: 0009-2614), 2006 Oct 5; 429(4-6): 551-557.
Impact Factor: 2.462
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V, Scalmani G, Frisch MJ
* A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution (268 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D.
Impact Factor: 3.166
Dettagli Esporta in BibTeX Esporta in EndNote
Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (307 visite)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
Dettagli Esporta in BibTeX Esporta in EndNote
Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (290 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Barone V, Improta R
* Solvent effect on the singlet excited-state dynamics of 5-fluorouracil in acetonitrile as compared with water (276 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jul 6; 110(26): 12843-12847.
Impact Factor: 4.115
Dettagli Esporta in BibTeX Esporta in EndNote
Mazzarella L, Bonomi G, Lubrano MC, Merlino A, Riccio A, Vergara A, Vitagliano L, Verde C, Di Prisco G
* Minimal structural requirements for root effect: Crystal structure of the cathodic hemoglobin isolated from the Antarctic fish Trematomus newnesi (400 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Feb 1; 62(2): 316-321.
Impact Factor: 3.73
Dettagli Esporta in BibTeX Esporta in EndNote
Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R
* Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives (306 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
Impact Factor: 7.696
Dettagli Esporta in BibTeX Esporta in EndNote
Bucci E, Vitagliano L, Barone R, Sorrentino S, D'Alessio G, Graziano G
* On the thermal stability of the two dimeric forms of ribonuclease (313 visite)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2005 Jul 1; 116(2): 89-95.
Impact Factor: 1.925
Dettagli Esporta in BibTeX Esporta in EndNote
Picone D, Di Fiore A, Ercole C, Franzese M, Sica F, Tomaselli S, Mazzarella L
* The role of the hinge loop in domain swapping - The special case of bovine seminal ribonuclease (295 visite)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 Apr 8; 280(14): 13771-13778.
Impact Factor: 5.854
Dettagli Esporta in BibTeX Esporta in EndNote
De Luca S, Sanseverino M, Zocchi I, Pedone C, Morelli G, Ragone R
* Receptor fragment approach to the binding between CCK8 peptide and cholecystokinin receptors: A fluorescence study on type B receptor fragment CCKB-R (352-379) (297 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005 Mar; 77(4): 205-211.
Impact Factor: 2.545
Dettagli Esporta in BibTeX Esporta in EndNote
Saviano M, Isernia C, Bassarello C, Di Lello P, Galdiero S, Mierke DF, Benedetti E, Pedone C
* Conformational analysis by NMR and distance geometry techniques of a peptide mimetic of the third helix of the Antennapedia homeodomain (351 visite)
J Pept Res (ISSN: 1397-002x), 2005 Feb; 65(2): 200-208.
Impact Factor: 1.741
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Antonello S, Formaggio F, Maran F, Rega N, Barone V
* Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides (479 visite)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2005 Jan 20; 109(2): 1023-1033.
Impact Factor: 4.033
Dettagli Esporta in BibTeX Esporta in EndNote
Vergara A
* Distinct diffusion in macromolecule-solvent mixtures (207 visite)
Macromol Theory Simul (ISSN: 1022-1344), 2005; 14(1): 21-25.
Impact Factor: 1.544
Dettagli Esporta in BibTeX Esporta in EndNote
Farrera-Sinfreu J, Zaccaro L, Vidal D, Salvatella X, Giralt E, Pons M, Albericio F, Royo M
* A New Class of Foldamers Based on cis-γ-Amino-L-proline (351 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2004 May 19; 126(19): 6048-6057.
Impact Factor: 6.903
Dettagli Esporta in BibTeX Esporta in EndNote
Clemente F, D'Avino E, Guaragno M, Menichetti A
* An on line technique to detect cardiac output variations and cardiovascular performances during abdominal aortic surgery (354 visite)
Journal Of Clinical Monitoring And Computing (ISSN: 1387-1307), 2004 Apr; 18(2): 81-87.
Impact Factor: 0.888
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals (237 visite)
Chem Rev (ISSN: 0009-2665), 2004 Mar; 104(3): 1231-1253.
Impact Factor: 20.233
Dettagli Esporta in BibTeX Esporta in EndNote
De Simone G, Mandrich L, Menchise V, Giordano V, Febbraio F, Rossi M, Pedone C, Manco G
* A substrate-induced switch in the reaction mechanism of a thermophilic esterase - Kinetic evidences and structural basis (334 visite)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2004 Feb 20; 279(8): 6815-6823.
Impact Factor: 6.355
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Barone V
* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (354 visite)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
Impact Factor: 3.168
Dettagli Esporta in BibTeX Esporta in EndNote
Barone V, Formaggio F, Improta R, Polo F, Maran F
* Electron transfer to and conformational preferences of Aib oligo-peptides (317 visite)
Proc Electrochem Soc, 2004; 10: 29-32.
Impact Factor: 0
Dettagli Esporta in BibTeX Esporta in EndNote
Cimino P, Improta R, Bifulco G, Riccio R, Gomez-paloma L, Barone V
* Nucleophilic Cyclopropane Ring Opening in Duocarmycin SA Derivatives by Methanol under Acid Conditions: A Quantum Mechanical Study in the Gas-Phase and in Solution (369 visite)
J Org Chem (ISSN: 0022-3263, 0022-3263linking), 2004; 69(8): 2816-2824.
Impact Factor: 3.462
Dettagli Esporta in BibTeX Esporta in EndNote
De Luca S, Ragone R, Bracco C, Digilio G, Aloj L, Tesauro D, Saviano M, Pedone C, Morelli G
* A cyclic CCK8 analogue selective for the cholecystokinin type A receptor: design, synthesis, NMR structure and binding measurements (375 visite)
Chembiochem (ISSN: 1439-7633, 1439-4227, 1439-7633electronic), 2003 Nov 7; 4(11): 1176-1187.
Impact Factor: 3.992
Dettagli Esporta in BibTeX Esporta in EndNote
De Luca S, Ragone R, Bracco C, Digilio G, Tesauro D, Saviano M, Pedone C, Morelli G
* The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies (261 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2003 Mar; 9(3): 156-169.
Impact Factor: 1.377
Dettagli Esporta in BibTeX Esporta in EndNote
D'Amore M, Improta R, Barone V
* Conformational behavior and magnetic properties of a nitroxide amino acid derivative in vacuo and in aqueous solution (185 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2003; 107(32): 6264-6269.
Impact Factor: 2.792
Dettagli Esporta in BibTeX Esporta in EndNote
Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
* Global and local motions in ribonuclease A: A molecular dynamics study (339 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.
Impact Factor: 2.372
Dettagli Esporta in BibTeX Esporta in EndNote
Langella E, Improta R, Barone V
* Conformational and spectroscopic analysis of the tyrosyl radical dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model (261 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Sep 25; 124(38): 11531-11540.
Impact Factor: 6.201
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Mele F, Crescenzi O, Benzi C, Barone V
* Understanding the role of stereoelectronic effects in determining collagen stability. 2. A quantum mechanical/molecular mechanical study of (Proline-Proline-Glycine)n polypeptides (304 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jul 3; 124(26): 7857-7865.
Impact Factor: 6.201
Dettagli Esporta in BibTeX Esporta in EndNote
Improta R, Kudin KN, Scuseria GE, Barone V
* Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions (208 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jan 9; 124(1): 113-120.
Impact Factor: 6.201
Dettagli Esporta in BibTeX Esporta in EndNote
Aloj L, Panico M, Caracó C, Zannetti A, Del Vecchio S, Di Nuzzo C, Arra C, Morelli G, Tesauro D, De Luca S, Pedone C, Salvatore M
* Radiolabeling approaches for cholecystokinin B receptor imaging (438 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002; 66(6): 370-380.
Impact Factor: 2.372
Dettagli Esporta in BibTeX Esporta in EndNote
Saracino GAA, Tedeschi A, D'Errico G, Improta R, Franco L, Ruzzi M, Corvaia C, Barone V
* Solvent polarity and pH effects on the magnetic properties of ionizable nitroxide radicals: A combined computational and experimental study of 2, 2, 5, 5-tetramethyl-3-carboxypyrrolidine and 2, 2, 6, 6-tetramethyl-4-carboxypiperidine nitroxides (227 visite)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2002; 106(44): 10700-10706.
Impact Factor: 2.765
Dettagli Esporta in BibTeX Esporta in EndNote
Saviano G, Rossi F, Benedetti E, Pedone C, Mierke DF, Maione A, Zanotti G, Tancredi T, Saviano M
* Structural consequences of metal complexation of cyclo[Pro-Phe-Phe-Ala-Xaa]2 decapeptides (350 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2001 Mar 16; 7(6): 1176-1183.
Impact Factor: 4.614
Dettagli Esporta in BibTeX Esporta in EndNote
Ragone R, De Luca S, Tesauro D, Pedone C, Morelli G
Fluorescence studies on the binding between 1-47 fragment of cholecystokinin receptor CCKA-R(1-47) and nonsulfated cholecystokinin octapeptide CCK8 (362 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 47-53.
Impact Factor: 2.405
Dettagli Esporta in BibTeX Esporta in EndNote
Vitagliano L, Adinolfi S, Sica F, Merlino A, Zagari A, Mazzarella L
A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease (253 visite)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Oct 29; 293(3): 569-577.
Impact Factor: 5.501
Dettagli Esporta in BibTeX Esporta in EndNote
Berisio R, Lamzin VS, Sica F, Wilson KS, Zagari A, Mazzarella L
Protein titration in the crystal state (241 visite)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Oct 1; 292(4): 845-854.
Impact Factor: 5.501
Dettagli Esporta in BibTeX Esporta in EndNote
Gallo P, Rossi F, Saviano M, Pedone C, Colonna G, Ragone R
Specific interaction between bovine cyclophilin A and synthetic analogues of cyclolinopeptide (321 visite)
Journal Of Biochemistry (ISSN: 0021-924x), 1998 Nov; 124(5): 880-885.
Impact Factor: 2.189
Dettagli Esporta in BibTeX Esporta in EndNote
De Simone G, Lombardi A, Galdiero S, Nastri F, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V
Hirunorms Are True Hirudin Mimetics. The Crystal Structure Of Human Alpha-Thrombin-Hirunorm V Complex (416 visite)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1998 Feb; 7(2): 243-253.
Impact Factor: 4.44
Dettagli Esporta in BibTeX Esporta in EndNote
Levchenko A, Mehta B, Spengler BA, Narkar A, Fonti R, Biedler JL, Tsuruo T, Larson SM
Measurement of P-glycoprotein expression in multidrug-resistant human neuroblastoma cell lines using self-competitive binding assay (223 visite)
Anal Biochem (ISSN: 0003-2697, 1096-0309electronic), 1996 May 1; 236(2): 338-343.
Impact Factor: 2.017
Dettagli Esporta in BibTeX Esporta in EndNote
Zanotti G, Maione A, Rossi F, Saviano M, Pedone C, Tancredi T
BIOACTIVE PEPTIDES - CONFORMATIONAL STUDY OF A CYSTINYL CYCLOHEPTAPEPTIDE IN ITS FREE AND CALCIUM COMPLEXED FORMS (487 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Jul; 33(7): 1083-1091.
Impact Factor: 2.425
Dettagli Esporta in BibTeX Esporta in EndNote
Di Blasio B, Lombardi A, D'Auria G, Saviano M, Isernia C, Maglio O, Paolillo L, Pedone C, Pavone V
Beta-Alanine Containing Peptides: Gamma-Turns In Cyclotetrapeptides (478 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Apr; 31(10): 621-631.
Impact Factor: 2.425
Dettagli Esporta in BibTeX Esporta in EndNote
102 Records (93 escludendo Abstract e Conferenze).
Impact factor totale: 482.518 (459.407 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 543.703 (520.73 escludendo Abstract e Conferenze).
Impact factor totale: 482.518 (459.407 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 543.703 (520.73 escludendo Abstract e Conferenze).
Last modified by Ultima modifica di Marco Comerci on in data Sunday 12 July 2020, 13:15:06
209 views visite. Last view on Ultima visita in data Friday 22 January 2021, 13:37:18
ibb.cnr.it