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Peptide bond distortions from planarity: New insights from quantum mechanical calculations and peptide/protein crystal structures (114 visite)

Improta R, Vitagliano L, Esposito L

Plos One (ISSN: 1932-6203, 1932-6203electronic), 2011 Sep 16; 6(9): e24533-e24533.

Tipo di articolo: Erratum, Research Support, Non-U. S. Gov'T, Abstract,

Impact factor: 4.092

Impact factor a 5 anni: 4.537


Parole chiave: Amide, Carbon, Peptide, Protein, Accuracy, Aqueous Solution, Article, Chemical Bond, Chemical Interaction, Crystal Structure, Density Functional Theory, Molecular Interaction, Prediction, Protein Analysis, Protein Conformation, Protein Structure, Quantum Mechanics, Chemical Structure, Chemistry, Protein Database, Quantum Theory, X Ray Crystallography, X-Ray, Models, Erratum,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-80052850167&partnerID=40&md5=d5e36aea476bda084e7f391da1983b79

By combining quantum-mechanical analysis and statistical survey of peptide/protein structure databases we here report a thorough investigation of the conformational dependence of the geometry of peptide bond, the basic element of protein structures. Different peptide model systems have been studied by an integrated quantum mechanical approach, employing DFT, MP2 and CCSD(T) calculations, both in aqueous solution and in the gas phase. Also in absence of inter-residue interactions, small distortions from the planarity are more a rule than an exception, and they are mainly determined by the backbone ψ dihedral angle. These indications are fully corroborated by a statistical survey of accurate protein/peptide structures. Orbital analysis shows that orbital interactions between the σ system of C α substituents and the π system of the amide bond are crucial for the modulation of peptide bond distortions. Our study thus indicates that, although long-range inter-molecular interactions can obviously affect the peptide planarity, their influence is statistically averaged. Therefore, the variability of peptide bond geometry in proteins is remarkably reproduced by extremely simplified systems since local factors are the main driving force of these observed trends. The implications of the present findings for protein structure determination, validation and prediction are also discussed. © 2011 Improta et al.
*** IBB - CNR ***

Istituto di Biostrutture e Bioimmagini, Consiglio Nazionale delle Ricerche (CNR), Napoli, Italy
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Shoulders, M. D., Satyshur, K. A., Forest, K. T., Raines, R. T., Stereoelectronic and steric effects in side chains preorganize a protein main chain (2010) Proc Natl Acad Sci U S A, 107, pp. 559-564

Cieplak, A. S., Solid-state conformations of linear oligopeptides and aliphatic amides. A model of chiral perturbation of a conjugated system (1985) J Am Chem Soc, 107, pp. 271-273

Rondan, N. G., Paddon-Row, M. N., Caramella, P., Houk, K. N., Nonplanar alkenes and carbonyls: a molecular distortion which parallels addition stereoselectivity (1981) J Am Chem Soc, 103, pp. 2436-2438

Jeffrey, G. A., Houk, K. N., Paddon-Row, M. N., Rondan, N. G., Mitra, J., Pyramidalization of carbonyl carbons in asymmetric environments: carboxylates, amides, and amino acids (1985) J Am Chem Soc, 107, pp. 321-326

Ulmer, T. S., Ramirez, B. E., Delaglio, F., Bax, A., Evaluation of Backbone Proton Positions and Dynamics in a Small Protein by Liquid Crystal NMR Spectroscopy (2003) J Am Chem Soc, 125, pp. 9179-9191

Edison, A. S., Linus Pauling and the planar peptide bond (2001) Nat Struct Biol, 8, pp. 201-202

Dunitz, J. D., Winkler, F. K., Amide group deformation in medium-ring lactams (1975) Acta Crystallogr B, 31, pp. 251-263

Ramachandran, G. N., Kolaskar, A. S., The non-planar peptide unit. Comparison of theory with crystal structure data (1973) Biochim Biophys Acta, 303, pp. 385-388

MacArthur, M. W., Thornton, J. M., Deviations from planarity of the peptide bond in peptides and proteins (1996) J Mol Biol, 264, pp. 1180-1195

Ramek, M., Yu, C. -H., Sakon, J., Schaefer, L., Ab initio study of the conformational dependence of the nonplanarity of the peptide group (2000) J Phys Chem A, 104, pp. 9636-9645

Rick, S. W., Cachau, R. E., The nonplanarity of the peptide group: Molecular dynamics simulations with a polarizable two-state model for the peptide bond (2000) J Chem Phys, 112, pp. 5230-5241

Hu, J. S., Bax, A., Determination of j and c1 Angles in Proteins from 13C-13C Three-Bond J Couplings Measured by Three-Dimensional Heteronuclear NMR. How Planar Is the Peptide Bond? (1997) J Am Chem Soc, 119, pp. 6360-6368

Burton, N. A., Chiu, S. S. L., Davidson, M. M., Green, D. V. S., Hiller, I. H., Rotation about the carbon-nitrogen bond in formamide: An ab initio molecular orbital study of structure and energetics in the gas phase and in solution (1993) J Chem Soc, Faraday Trans, 89, pp. 2631-2635

Wiberg, K. B., Rablen, P. R., Rush, D. J., Keith, T. A., Amides. 3. Experimental and Theoretical Studies of the Effect of the Medium on the Rotational Barriers for N, N-Dimethylformamide and N, N-Dimethylacetamide (1995) J Am Chem Soc, 117, pp. 4261-4270

Mujika, J. I., Matxain, J. M., Eriksson, L. A., Lopez, X., Resonance structures of the amide bond: the advantages of planarity (2006) Chemistry, 12, pp. 7215-7224

Wiberg, K. B., Breneman, C. M., Resonance interactions in acyclic systems. 3. Formamide internal rotation revisited. Charge and energy redistribution along the C-N bond rotational pathway (1992) J Am Chem Soc, 114, pp. 831-840

Milner-White, E. J., The partial charge of the nitrogen atom in peptide bonds (1997) Protein Sci, 6, pp. 2477-2482

Berman, H. M., Battistuz, T., Bhat, T. N., Bluhm, W. F., Bourne, P. E., The Protein Data Bank (2002) Acta Crystallogr D Biol Crystallogr, 58, pp. 899-907

Allen, F. H., The Cambridge Structural Database: a quarter of a million crystal structures and rising (2002) Acta Crystallogr B, 58, pp. 380-388

Tsai, M. I., Xu, Y., Dannenberg, J. J., Ramachandran revisited. DFT energy surfaces of diastereomeric trialanine peptides in the gas phase and aqueous solution (2009) J Phys Chem B, 113, pp. 309-318

Poon, C. D., Samulski, E. T., Weise, C. F., Weisshaar, J. C., Do Bridging Water Molecules Dictate the Structure of a Model Dipeptide in Aqueous Solution? (2000) J Am Chem Soc, 122, pp. 5642-5643

Jalkanen, K. J., Degtyarenko, I. M., Nieminen, R. M., Cao, X., Nafie, L. A., Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N -methylamide in aqueous solution: a combined theoretical and experimental approach (2008) Theor Chem Acc, 119, pp. 191-210

Bartlett, G. J., Choudhary, A., Raines, R. T., Woolfson, D. N., n pi* interactions in proteins (2011) Nat Chem Biol, 6, pp. 615-620

Lamzin, V. S., Wilson, K. S., Automated refinement for protein crystallography (1997) Methods Enzymol, 277, pp. 269-305

Karplus, P. A., Shapovalov, M. V., Dunbrack Jr., R. L., Berkholz, D. S., A forward-looking suggestion for resolving the stereochemical restraints debate: ideal geometry functions (2008) Acta Crystallogr D Biol Crystallogr, 64, pp. 335-336

Berkholz, D. S., Krenesky, P. B., Davidson, J. R., Karplus, P. A., Protein Geometry Database: a flexible engine to explore backbone conformations and their relationships to covalent geometry (2010) Nucleic Acids Res, 38, pp. 320-325

Berkholz, D. S., Shapovalov, M. V., Dunbrack Jr., R. L., Karplus, P. A., Conformation dependence of backbone geometry in proteins (2009) Structure, 17, pp. 1316-1325

Network, E. -D. V., Who checks the checkers? Four validation tools applied to eight atomic resolution structures. EU 3-D Validation Network (1998) J Mol Biol, 276, pp. 417-436

Rohl, C. A., Strauss, C. E., Misura, K. M., Baker, D., Protein structure prediction using Rosetta (2004) Methods Enzymol, 383, pp. 66-93

Tronrud, D. E., Karplus, P. A., A conformation-dependent stereochemical library improves crystallographic refinement even at atomic resolution (2011) Acta Crystallogr D Biol Crystallogr, 67, pp. 699-706

Foster, J. P., Weinhold, F., Natural hybrid orbitals (1980) J Am Chem Soc, 102, pp. 7211-7218

Glendening, E. D., Weinhold, F., Natural resonance theory. I. General formalism (1998) J Comput Chem, 19, pp. 593-609

Frisch, M. J., (2004) Gaussian 03, , Revision C. 02 Ed, Wallingford CT, Gaussian Inc

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* Interactions of gold-based drugs with proteins: crystal structure of the adduct formed between ribonuclease A and a cytotoxic gold(III) compound (87 visite)
Messori L, Scaletti F, Massai L, Cinellu MA, Russo Krauss I, Di Martino G, Vergara A, Paduano L, Merlino A
Metallomics (ISSN: 1756-5901, 1756-591x, 1756-591xelectronic), 2014; 6(2): 233-236.
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* Determination Of Formal Redox Potentials In Aqueous Solution Of Copper(ii) Complexes With Ligands Having Nitrogen And Oxygen Donor Atoms And Comparisonwith Their Epr And Uv–vis Spectral Features (95 visite)
Tabbì G, Giuffrida A, Bonomo RP
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2013 Nov; 128: 137-145.
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* Affinity, speciation, and molecular features of copper(II) complexes with a prion tetraoctarepeat domain in aqueous solution: insights into old and new results (111 visite)
Di Natale G, Osz K, Kállay C, Pappalardo G, Sanna D, Impellizzeri G, Sóvágó I, Rizzarelli E
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2013 Mar 11; 19(11): 3751-3761.
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* Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (83 visite)
Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.
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* Reproducibility and accuracy of non-invasive measurement of infarct size in mice with high-resolution PET/CT (110 visite)
Greco A, Petretta MP, Larobina M, Gargiulo S, Panico M, Nekolla SG, Esposito G, Petretta M, Brunetti A, Cuocolo A
J Nucl Cardiol (ISSN: 1532-6551, 1071-3581, 1532-6551electronic), 2012 Jun; 19(3): 492-499.
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* Electrochemical characterization of ordered arrays of metallo-porphyrins in aqueous solution (105 visite)
Tabbì G, Di Mauro G, Purrello R, Bonomo RP
Dalton Trans (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2011 Apr 28; 40(16): 4223-4229.
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* Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide (86 visite)
Di Fiore A, Truppo E, Supuran CT, Alterio V, Dathan N, Bootorabi F, Parkkila S, Monti SM, De Simone G
Bioorg Med Chem Lett (ISSN: 0960-894x), 2010 Sep 1; 20(17): 5023-5026.
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* Crystal structure of an S-formylglutathione hydrolase from pseudoalteromonas haloplanktis TAC125 (85 visite)
Alterio V, Aurilia V, Romanelli A, Parracino A, Saviano M, D'Auria S, De Simone G
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 Sep; 93(8): 669-677.
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* Recent advances in structural studies of the carbonic anhydrase family: The crystal structure of human CA IX and CA XIII (102 visite)
Supuran CT, Di Fiore A, Alterio V, Monti SM, De Simone G
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2010; 16(29): 3246-3254.
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* The excited electronic states of adenine-guanine stacked dimers in aqueous solution: A PCM/TD-DFT study (86 visite)
Santoro F, Barone V, Lami A, Improta R
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2010; 12(19): 4934-4948.
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* Crystal structure of PD-L1, a ribosome inactivating protein from Phytolacca dioica L. leaves with the property to induce DNA cleavage (111 visite)
Ruggiero A, Di Maro A, Severino V, Chambery A, Berisio R
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1135-1142.
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* Toward an Antitumor Form of Bovine Pancreatic Ribonuclease: The Crystal Structure of Three Noncovalent Dimeric Mutants (89 visite)
Merlino A, Russo Krauss I, Perillo M, Mattia CA, Ercole C, Picone D, Vergara A, Sica F
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1029-1037.
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* Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX (171 visite)
Alterio V, Hilvo M, Di Fiore A, Supuran CT, Pan P, Parkkila S, Scaloni A, Pastorek J, Pastorekova S, Pedone C, Scozzafava A, Monti SM, De Simone G
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2009 Sep 22; 106(38): 16233-16238.
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* Crystal Structure of the Resuscitation-Promoting Factor (Delta DUF)RpfB from M. tuberculosis (100 visite)
Ruggiero A, Tizzano B, Pedone E, Pedone C, Wilmanns M, Berisio R
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2009 Jan 9; 385(1): 153-162.
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* Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide (89 visite)
Di Fiore A, Monti SM, Hilvo M, Parkkila S, Romano V, Scaloni A, Pedone C, Scozzafava A, Supuran CT, De Simone G
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Jan; 74(1): 164-175.
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* Sterochemistry And Thermodynamics Of The Inclusion Of Aliphatic And Aromatic Anionic Guests In A Tetracationic Calix [4] Arene In Acidic And Neutral Aqueous Solutions (65 visite)
Sgarlata C, Bonaccorso C, Gulino FG, Zito V, Arena G, Sciotto D
New Journal Of Chemistry, 2009; 33: 991-991.
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* 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 (76 visite)
Santoro F, Barone V, Improta R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(42): 15232-15245.
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* The crystal structure of the superoxide dismutase from Helicobacter pylori reveals a structured C-terminal extension (93 visite)
Esposito L, Seydel A, Aiello R, Sorrentino G, Cendron L, Zanotti G, Zagari
Biochim Biophys Acta (ISSN: 1570-9639, 0006-3002, 0925-4439), 2008 Nov; 1784(11): 1601-1606.
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* The excited states of adenine and thymine nucleoside and nucleotide in aqueous solution: A comparative study by time-dependent DFT calculations (83 visite)
Improta R, Barone V
Theor Chem Acc (ISSN: 1432-881x), 2008 Jul; 120(4-6): 491-497.
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* Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors (95 visite)
Di Fiore A, Pedone C, Antel J, Waldeck H, Witte A, Wurl M, Scozzafava A, Supuran CT, De Simone G
Bioorg Med Chem Lett (ISSN: 1464-3405, 0960-894x, 1464-3405electronic), 2008 Apr 15; 18(8): 2669-2674.
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The Excited States Of Pi-Stacked 9-Methyl Adenine Oligomers: A Td-Dft Study In Aqueous Solution (71 visite)
Improta R
Physical Chemistry Chemical Physics, 2008; 10: 2656-2664.
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* Bowel sonography in adult celiac disease: Diagnostic accuracy and ultrasonographic features (85 visite)
Castiglione F, Rispo A, Cozzolino A, Camera L, D'Argenio G, Tortora R, Grassia R, Bucci C, Ciacci C
Abdom Imaging (ISSN: 0942-8925, 1432-0509), 2007 Feb; 32(1): 73-77.
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* Accuracy of single phase contrast enhanced multidetector CT colonography in the preoperative staging of colo-rectal cancer (82 visite)
Mainenti PP, Cirillo LC, Camera L, Persico F, Cantalupo T, Pace L, De Palma GD, Persico G, Salvatore M
Eur J Radiol (ISSN: 0720-048x), 2006 Dec; 60(3): 453-459.
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* High resolution crystal structure of deoxy hemoglobin from Trematomus bernacchii at different pH values: The role of histidine residues in modulating the strength of the root effect (91 visite)
Mazzarella L, Vergara A, Vitagliano L, Merlino A, Bonomi G, Scala S, Verde C, Di Prisco G
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Nov 1; 65(2): 490-498.
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* Diagnostic accuracy of chemical-shift MR imaging to differentiate between adrenal adenomas and non adenoma adrenal lesions (113 visite)
Maurea S, Imbriaco M, D'Angelillo M, Mollica C, Camera L, Salvatore M
Radiol Med (ISSN: 0033-8362, 1826-6983, 1826-6983electronic), 2006 Sep; 111(5): 674-686.
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* Accuracy of sonographic volume measurements of kidney transplant (115 visite)
Mancini M, Mainenti PP, Speranza A, Liuzzi R, Soscia E, Sabbatini M, Ferrara LA, Federico S, Salvatore M
Journal Of Clinical Ultrasound (ISSN: 0091-2751), 2006 May; 34(4): 184-189.
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* The first crystal structure of a thioacylenzyme intermediate in the ALDH family: New coenzyme conformation and relevance to catalysis (77 visite)
D'Ambrosio K, Pailot A, Talfournier F, Didierjean C, Benedetti E, Aubry A, Branlant G, Corbier C
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Mar 7; 45(9): 2978-2986.
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* Minimal structural requirements for root effect: Crystal structure of the cathodic hemoglobin isolated from the Antarctic fish Trematomus newnesi (116 visite)
Mazzarella L, Bonomi G, Lubrano MC, Merlino A, Riccio A, Vergara A, Vitagliano L, Verde C, Di Prisco G
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Feb 1; 62(2): 316-321.
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* Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives (125 visite)
Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
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* A combined femtosecond fluorescence and TD-DFT study of uracil derivatives in aqueous solution (77 visite)
Gustavsson T, Lazzarotto E, Markovitsi D, Banyasz AA, Improta R, Scalmani G
Femtochemistry Vii Elsevier (ISSN: 9780-4445), 2006; N/D: 254-257.
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* Carbonic anhydrase inhibitors: Stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II (127 visite)
Menchise V, De Simone G, Alterio V, Di Fiore A, Pedone C, Scozzafava A, Supuran CT
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2005 Sep 8; 48(18): 5721-5727.
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* Carbonic anhydrase inhibitors: X-ray crystal structure of a benzenesulfonamide strong CA II and CA IX inhibitor bearing a pentafluorophenylaminothioureido tail in complex with isozyme II (125 visite)
Di Fiore A, De Simone G, Menchise V, Pedone C, Casini A, Scozzafava A, Supuran CT
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2005 Apr 1; 15(7): 1937-1942.
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* Miniaturized heme proteins: crystal structure of Co(III)-mimochrome IV (107 visite)
Di Costanzo L, Geremia S, Randaccio L, Nastri F, Maglio O, Lombardi A, Pavone V
J Biol Inorg Chem (ISSN: 0949-8257, 1432-1327electronic, 0949-8257print), 2004 Dec; 9(8): 1017-1027.
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* Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: A TD-DFT quantum mechanical study (155 visite)
Improta R, Barone V
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2004 Nov 10; 126(44): 14320-14321.
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* The crystal structure of an EST2 mutant unveils structural insights on the H group of the carboxylesterase/lipase family (105 visite)
De Simone G, Menchise V, Alterio V, Mandrich L, Rossi M, Manco G, Pedone C
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2004 Oct 8; 343(1): 137-146.
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* Multidetector row CT angiography of the abdominal aorta and lower extremities in patients with peripheral arterial occlusive disease: diagnostic accuracy and interobserver agreement (82 visite)
Romano M, Mainenti PP, Imbriaco M, Amato B, Markabaoui K, Tamburrini O, Salvatore M
European Journal Of Radiology (ISSN: 0720-048x), 2004 Jun; 50(3): 303-308.
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* The Crystal Structure Of Sulfolobus Solfataricus Elongation Factor 1 Alpha In Complex With Magnesium And Gdp (146 visite)
Vitagliano L, Ruggiero A, Masullo M, Cantiello P, Arcari P, Zagari A
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2004; 43(21): 6630-6636.
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* Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus (109 visite)
Esposito L, Bruno I, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Dec 16; 42(49): 14397-14407.
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* Crystal Structure Of The Dimeric Un-Swapped Form Of Bovine Seminal Ribonuclease (106 visite)
Berisio R, Sica F, De Lorenzo C, Di Fiore A, Piccoli R, Zagari A, Mazzarella L
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2003 Nov 6; 554(1-2): 105-110.
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* Insights into peptide nucleic acid (PNA) structural features: The crystal structure of a D-lysine-based chiral PNA-DNA duplex (125 visite)
Menchise V, De Simone G, Tedeschi T, Corradini R, Sforza S, Marchelli R, Capasso D, Saviano M, Pedone C
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2003 Oct 14; 100(21): 12021-12026.
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* The unswapped chain of bovine seminal ribonuclease: Crystal structure of the free and liganded monomeric derivative (95 visite)
Sica F, Di Fiore A, Zagari A, Mazzarella L
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2003 Sep 1; 52(2): 263-271.
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* Conformational behavior and magnetic properties of a nitroxide amino acid derivative in vacuo and in aqueous solution (85 visite)
D'Amore M, Improta R, Barone V
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2003; 107(32): 6264-6269.
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* Non-covalent synthesis in aqueous solution of discrete multi-porphyrin aggregates with programmable stoichiometry and sequence (83 visite)
Moschetto A, Lauceri R, Gulino FG, Sciotto D, Purrello R
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Dec 11; 124(49): 14536-14537.
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* 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 (77 visite)
Langella E, Improta R, Barone V
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Sep 25; 124(38): 11531-11540.
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* The crystal structure of a tetrameric hemoglobin in a partial hemichrome state (96 visite)
Riccio A, Vitagliano L, Di Prisco G, Zagari A, Mazzarella L
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2002 Jul 23; 99(15): 9801-9806.
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* Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model (86 visite)
Langella E, Rega N, Improta R, Crescenzi O, Barone V
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2002 Apr 30; 23(6): 650-661.
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* Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution (104 visite)
Esposito L, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2002 Apr 26; 318(2): 463-477.
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* Crystal structure of the collagen triple helix model [(Pro-Pro-Gly)10]3 (85 visite)
Berisio R, Vitagliano L, Mazzarella L, Zagari A
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2002 Feb; 11(2): 262-270.
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* Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution (75 visite)
Benzi C, Improta R, Scalmani G, Barone V
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2002 Feb; 23(3): 341-350.
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* Electrospray mass spectrometric studies of L-carnosine (β-alanyl-L-histidine) complexes with copper(II) or zinc ions in aqueous solution (101 visite)
Mineo P, Vitalini D, La Mendola D, Rizzarelli E, Scamporrino E, Vecchio G
Rapid Commun Mass Spectrom (ISSN: 0951-4198), 2002; 16(7): 722-729.
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* The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus (93 visite)
De Simone G, Menchise V, Manco G, Mandrich L, Sorrentino N, Lang D, Rossi M, Pedone C
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2001 Nov 30; 314(3): 507-518.
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* Diagnostic accuracy of low-dose dobutamine echocardiography in predicting post-revascularisation recovery of function in patients with chronic coronary artery disease: Relationship to thallium-201 uptake (80 visite)
Pace L, Filardi PP, Cuocolo A, Prastaro M, Acampa W, Dellegrottaglie S, Storto G, Della Morte AM, Piscione F, Chiariello M, Salvatore M
Eur J Nucl Med Mol Imaging (ISSN: 0340-6997, 1619-7070, 1619-7089), 2001 Nov; 28(11): 1616-1623.
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* Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism (97 visite)
Menchise V, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2001 Oct 1; 359(1): 65-75.
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* The crystal structure of Sulfolobus solfataricus elongation factor 1α in complex with GDP reveals novel features in nucleotide binding and exchange (81 visite)
Vitagliano L, Masullo M, Sica F, Zagari A, Bocchini V
Embo J (ISSN: 0261-4189), 2001 Oct 1; 20(19): 5305-5311.
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Accuracy of low dose dobutamine echocardiography to identify severely dysfunctional viable myocardium significantly varies in relation to the level of TI-201 uptake at rest (60 visite)
Perrone-Filardi P, Dellegrottaglie S, Pace L, Prastaro M, Cuocolo A, Ponticelli MP, Della Morte AM, Piscione F, Sansone V, Salvatore M, Chiariello M
Circulationcirculation (ISSN: 0009-7322), 2000 Oct 31; 102(18Supplement): N/D-N/D.
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The ultrahigh resolution crystal structure of ribonuclease A containing an isoaspartyl residue: Hydration and sterochemical analysis (136 visite)
Esposito L, Vitagliano L, Sica F, Sorrentino G, Zagari A, Mazzarella L
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2000 Mar 31; 297(3): 713-732.
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The crystal structure of a Dcp-containing peptide (101 visite)
De Simone G, Lombardi A, Galdiero S, Nastri F, Di Costanzo L, Gohda S, Sano A, Yamada T, Pavone V
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000 Feb; 53(2): 182-188.
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The crystal structure of Afc-containing peptide (89 visite)
Lombardi A, De Simone G, Galdiero S, Nastri F, Di Costanzo L, Makihiara K, Yamada T, Pavone V
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000 Feb; 53(2): 150-160.
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Accuracy of enteroclysis in Crohn's disease of the small bowel: A retrospective study (86 visite)
Cirillo LC, Camera L, Della Noce M, Castiglione F, Mazzacca G, Salvatore M
Eur Radiol (ISSN: 0938-7994, 1432-1084electronic), 2000; 10(12): 1894-1898.
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Crystal Structure Of A Collagen-Like Polypeptide With Repeating Sequence Pro-Hyp-Gly At 1. 4 Ang Resolution: Implications For Collagen Hydration (93 visite)
Berisio R, Vitagliano L, Mazzarella L, Zagari A
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 8-13.
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High-resolution scintimammography improves the accuracy of technetium-99m methoxyisobutylisonitrile scintimammography: Use of a new dedicated gamma camera (95 visite)
Scopinaro F, Pani R, De Vincentis G, Soluri A, Pellegrini R, Porfiri LM
Eur J Nucl Med Mol Imaging (ISSN: 0340-6997, 1619-7070, 1619-7089), 1999 Oct; 26(10): 1279-1288.
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Crystal structure of Trematomus newnesi haemoglobin re-opens the Root effect question (77 visite)
Mazzarella L, D'Avino R, Di Prisco G, Savino C, Vitagliano L, Moody P, Zagari A
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Apr 16; 287(5): 897-906.
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The crystal structure of alpha-thrombin-hinunorm IV complex reveals a novel specificity site recognition mode (111 visite)
Lombardi A, De Simone G, Nastri F, Galdiero S, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1999 Jan; 8(1): N/D-N/D.
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The Crystal Structure Of Alpha-Thrombin-Hirunorm Iv Complex Reveals A Novel Specificity Site Recognition Mode (103 visite)
Lombardi A, De Simone G, Nastri F, Galdiero S, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1999 Jan; 8(1): 91-95.
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Accuracy of dynamic contrast-enhanced MR imaging in patients with indeterminate mammograms (66 visite)
Imbriaco M, Sodano A, Riccardi A, Del Vecchio S, Panza M, Limite G, Pace U, Forestieri P, Petrella M, Salvatore G
European Journal Of Cancer (ISSN: 0959-8049), 1998 Sep; 34: N/D-N/D.
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Hirunorms Are True Hirudin Mimetics. The Crystal Structure Of Human Alpha-Thrombin-Hirunorm V Complex (97 visite)
De Simone G, Lombardi A, Galdiero S, Nastri F, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1998 Feb; 7(2): 243-253.
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Deamidation in proteins: The crystal structure of bovine pancreatic ribonuclease with an isoaspartyl residue at position 67 (83 visite)
Capasso S, Di Donato A, Esposito L, Sica F, Sorrentino G, Vitagliano L, Zagari A, Mazzarella L
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1996; 257(3): 492-496.
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Mixed conformation in C(α, α)-disubstituted tripeptides: X-ray crystal structures of Z-Aib-Dph-Gly-OMe and Bz-Dph-Dph-Gly-OMe (84 visite)
Pavone V, Lombardi A, Saviano M, Di Blasio B, Nastri F, Fattorusso R, Zaccaro L, Maglio O, Yamada T, Omote Y
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Dec; 34(12): 1595-1604.
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LEFT-VENTRICULAR SYSTOLIC AND DIASTOLIC FUNCTION MEASUREMENTS USING AN AMBULATORY RADIONUCLIDE MONITOR - EFFECTS OF DIFFERENT TIME AVERAGING ON ACCURACY (70 visite)
Pace L, Cuocolo A, Stefano ML, Nappi A, Nicolai E, Imbriaco M, Trimarco B, Salvatore M
Journal Of Nuclear Medicine (ISSN: 0161-5505, 1535-5667, 1535-5667electronic), 1993 Sep; 34(9): 1602-1606.
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Accuracy and repeatability of left ventricular systolic and diastolic function measurements using an ambulatory radionuclide monitor (55 visite)
PACE L, CUOCOLO A, NAPPI A, NICOLAI E, TRIMARCO B, SALVATORE M
Eur J Nucl Med Mol Imaging (ISSN: 0340-6997, 1619-7070, 1619-7089), 1992 Sep; 19(9): 800-806.
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Thermodynamic and 1H-NMR Study of Proton Complex Formation of Histidine-Containing Cyclodipeptides in Aqueous Solution (84 visite)
Arena G, Impellizzeri G, Maccarrone G, Pappalardo G, Sciotto D, Rizzarelli E
J Chem Soc, 1992; N/D: 371-376.
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Non-Covalent Interactions in Cyclopeptide Proton Complex Formation in Aqueous Solution (73 visite)
Arena G, Impellizzeri G, Maccarrone G, Pappalardo G, Sciotto D, Rizzarelli E
Thermochim Acta, 1989; 154: 97-106.
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Solid-state conformations of aminosuccinyl peptides: crystal structure of tert-butyloxycarbonyl-L-leucyl-L-aminosuccinyl-L-phenylalaninami de (81 visite)
Capasso S, Mazzarella L, Sica F, Zagari A
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1989; 28(1): 139-147.
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* An EPR and voltammetric study of simple and mixed copper(II) complexes with L- or D-glutamate and L-arginate in aqueous solution (68 visite) (PDF 64 visite)
Valora G, Bonomo RP, Tabbì G
Inorganica Chimica Acta, 2016 Lug 19; 453(2016): 62-68.
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87 Records (83 escludendo Abstract e Conferenze).
Impact factor totale: 333.4 (312.148 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 348.97 (323.177 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: (([btitle] "Accuracy" OR [btitle] "Aqueous Solution" OR [btitle] "Chemical Bond" OR [btitle] "Chemical Interaction" OR [btitle] "Crystal Structure") AND NOT [id] = 50957)







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