Intramolecular weak interactions in the thermodynamic stereoselectivity of copper(II) complexes with carnosine-trehalose conjugates (885 views)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2011 Sep 16; 17(34): 9448-9455.
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Paper type: Journal Article, Research Support, Non-U. S. Gov'T,
Impact factor: 5.925, 5-year impact factor: 5.866
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-80051489605&partnerID=40&md5=41492dfb8289164d2624112eccbea2ab
Keywords: Carbohydrates, Chirality, Copper, Peptides, Thermodynamics, Antitumor Property, Biochemical Process, Carnosine, Chiral Molecule, Copper (ii), Copper Complexes, Diastereoisomers, Dipeptide, Electron-Rich, Free-Energy Calculations, Spectroscopic Measurements, Stereocenters, Thermodynamic Stereoselectivity, Weak Interactions, Complexation, Dimers, Enantiomers, Free Energy, Glucose, Hydrogen Bonds, Metal Ions, Stereochemistry, Copper Compounds, Glycoconjugate, Imidazole, Imidazole Derivative, Proton, Trehalose, Article, Chemical Structure, Metabolism, Nuclear Magnetic Resonance Spectroscopy, Organic Chemistry, Stereoisomerism, Hydrogen Bonding, Hydrogen-Ion Concentration, Models,
Affiliations:
*** IBB - CNR ***
Dipartimento di Scienze Chimiche, Universita degli Studi di Catania, 6 Viale A. Doria, 95125 Catania, Italy.
Computational Science Department of Chemistry and Applied Biosciences, ETH Zurich, USI-Campus, 6900 Lugano, Switzerland
References:
Not available.
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2011 Sep 16; 17(34): 9448-9455.
Export to BibTeX Export to EndNote
Paper type: Journal Article, Research Support, Non-U. S. Gov'T,
Impact factor: 5.925, 5-year impact factor: 5.866
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-80051489605&partnerID=40&md5=41492dfb8289164d2624112eccbea2ab
Keywords: Carbohydrates, Chirality, Copper, Peptides, Thermodynamics, Antitumor Property, Biochemical Process, Carnosine, Chiral Molecule, Copper (ii), Copper Complexes, Diastereoisomers, Dipeptide, Electron-Rich, Free-Energy Calculations, Spectroscopic Measurements, Stereocenters, Thermodynamic Stereoselectivity, Weak Interactions, Complexation, Dimers, Enantiomers, Free Energy, Glucose, Hydrogen Bonds, Metal Ions, Stereochemistry, Copper Compounds, Glycoconjugate, Imidazole, Imidazole Derivative, Proton, Trehalose, Article, Chemical Structure, Metabolism, Nuclear Magnetic Resonance Spectroscopy, Organic Chemistry, Stereoisomerism, Hydrogen Bonding, Hydrogen-Ion Concentration, Models,
Affiliations:
*** IBB - CNR ***
Dipartimento di Scienze Chimiche, Universita degli Studi di Catania, 6 Viale A. Doria, 95125 Catania, Italy.
Computational Science Department of Chemistry and Applied Biosciences, ETH Zurich, USI-Campus, 6900 Lugano, Switzerland
References:
Not available.
Intramolecular weak interactions in the thermodynamic stereoselectivity of copper(II) complexes with carnosine-trehalose conjugates
The interactions of metal ions with chiral molecules are of particular interest for relevant biochemical processes, as many of them are made possible only with a selected chirality of the stereocenters. In this work we report a study of the stereoselectivity of copper(II) complexes with D-trehalose-L-carnosine and D-trehalose-D-carnosine as a prototypical case of natural chirality selection. The interest in L-carnosine dipeptide is compounded by its antioxidant and antitumor properties, which are further enhanced when combined with D-trehalose. Potentiometric, calorimetric, and UV/circular dichroism (CD) spectroscopic measurements show that the copper(II) dimer of D-trehalose-L-carnosine is more stable than the D-trehalose-D-carnosine diastereoisomeric copper(II) dimer (log beta(L)(22-2) - log beta(D)(22-2) = 3.6). Free-energy calculations highlight that the cause of this different behavior lies with different intramolecular weak interactions between the diastereoisomers. The different pattern of hydrogen bonds and the different CH-pi interactions between the pi-electron-rich imidazole and the alpha-glucose rings are more favorable by 5 kcal mol(-1) in the L dimer. Copyright 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
The interactions of metal ions with chiral molecules are of particular interest for relevant biochemical processes, as many of them are made possible only with a selected chirality of the stereocenters. In this work we report a study of the stereoselectivity of copper(II) complexes with D-trehalose-L-carnosine and D-trehalose-D-carnosine as a prototypical case of natural chirality selection. The interest in L-carnosine dipeptide is compounded by its antioxidant and antitumor properties, which are further enhanced when combined with D-trehalose. Potentiometric, calorimetric, and UV/circular dichroism (CD) spectroscopic measurements show that the copper(II) dimer of D-trehalose-L-carnosine is more stable than the D-trehalose-D-carnosine diastereoisomeric copper(II) dimer (log beta(L)(22-2) - log beta(D)(22-2) = 3.6). Free-energy calculations highlight that the cause of this different behavior lies with different intramolecular weak interactions between the diastereoisomers. The different pattern of hydrogen bonds and the different CH-pi interactions between the pi-electron-rich imidazole and the alpha-glucose rings are more favorable by 5 kcal mol(-1) in the L dimer. Copyright 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Intramolecular weak interactions in the thermodynamic stereoselectivity of copper(II) complexes with carnosine-trehalose conjugates
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Intramolecular weak interactions in the thermodynamic stereoselectivity of copper(II) complexes with carnosine-trehalose conjugates
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J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Oct 7; 114(39): 12708-12719.
Impact Factor: 3.603
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La Mendola D, Magrì A, Campagna T, Campitiello MA, Raiola L, Isernia C, Hansson O, Bonomo RP, Rizzarelli E
* A doppel alpha-helix peptide fragment mimics the copper(II) interactions with the whole protein (1765 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2010 Jun 1; 16(21): 6212-6223.
Impact Factor: 5.476
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Sgarlata C, Mugridge JS, Pluth MD, Tiedemann BE, Zito V, Arena G, Raymond KN
* External and Internal Guest Binding of a Highly Charged Supramolecular Host in Water: Deconvoluting the Very Different Thermodynamics (535 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2010 Jan 27; 132(3): 1005-1009.
Impact Factor: 9.023
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Satriano C, Messina GM, Marino C, Aiello I, Conte E, La Mendola D, Distefano DA, D'Alessandro F, Pappalardo G, Impellizzeri G
* Surface immobilization of fibronectin-derived PHSRN peptide on functionalized polymer films - Effects on fibroblast spreading (889 views)
J Colloid Interface Sci (ISSN: 1095-7103electronic, 0021-9797linking), 2010 Jan 15; 341(2): 232-239.
Impact Factor: 3.068
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Milardi D, Pappalardo M, Grasso DM, La Rosa C
* Unveiling the unfolding pathway of FALS associated G37R SOD1 mutant: A computational study (652 views)
Mol Biosyst (ISSN: 1742-206x), 2010; 6(6): 1032-1039.
Impact Factor: 3.825
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Vitagliano L, Stanzione F, De Simone A, Esposito L
* Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces (1291 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.
Impact Factor: 2.605
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Ruggiero A, Masullo M, Marasco D, Ruocco MR, Grimaldi P, Arcari P, Zagari A, Vitagliano L
* The dimeric structure of Sulfolobus solfataricus thioredoxin A2 and the basis of its thermostability (1044 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2009 Dec; 77(4): 1004-1008.
Impact Factor: 3.085
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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 (1404 views)
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Impact Factor: 1.807
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Palladino P, Ronga L, Benedetti E, Rossi F, Ragone R
* Peptide Fragment Approach to Prion Misfolding: The Alpha-2 Domain (757 views)
Int J Pept Res Ther (ISSN: 1573-3149, 0929-5666), 2009 Sep; 15(3): 165-176.
Impact Factor: 0.869
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Di Natale G, Osz K, Nagy Z, Sanna D, Micera G, Pappalardo G, Sovago I, Rizzarelli E
* The Interaction Of Copper (ii) With The Prion Peptide Fragment Huprp (76-114) Encompassing Four Histidyl Residues Within And Outside The Octarepeat Domain (1242 views)
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 2009 May 4; 48(9): 4239-4250.
Impact Factor: 4.657
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Giordano D, Boechi L, Vergara A, Marti MA, Samuni U, Dantsker D, Grassi L, Estrin DA, Friedman JM, Mazzarella L, Di Prisco G, Verde C
* The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics (1166 views)
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.
Impact Factor: 3.042
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* Molecular dynamics studies of the P pilus rod subunit PapA (959 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.
Impact Factor: 1.807
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La Mendola D, Bonomo RP, Caminati S, Di Natale G, Emmi SS, Hansson O, Maccarrone G, Pappalardo G, Pietropaolo A, Rizzarelli E
* Copper(II) complexes with an avian prion N-terminal region and their potential SOD-like activity (753 views)
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2009 Feb; 103(2): 195-204.
Impact Factor: 3.252
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Ronga L, Palladino P, Ragone R, Benedetti E, Rossi F
* A thermodynamic approach to the conformational preferences of the 180-195 segment derived from the human prion protein α2-helix (514 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009; 15(1): 30-35.
Impact Factor: 1.807
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Sgarlata C, Bonaccorso C, Gulino FG, Zito V, Arena G, Sciotto D
* Sterochemistry And Thermodynamics Of The Inclusion Of Aliphatic And Aromatic Anionic Guests In A Tetracationic Calix [4] Arene In Acidic And Neutral Aqueous Solutions (429 views)
New Journal Of Chemistry, 2009; 33: 991-991.
Impact Factor: 3.159
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Marasco D, Perretta G, Sabatella M, Ruvo M
* Past and Future Perspectives of Synthetic Peptide Libraries (908 views)
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2008 Oct; 9(5): 447-467.
Impact Factor: 3.011
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Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
* Structure and dimerization of the teleost transmembrane immunoglobulin region (826 views)
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.
Impact Factor: 2.347
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Pappalardo M, Sciacca MFM, Milardi D, Grasso DM, La Rosa C
* Thermodynamics Of Azurin Folding: The Role Of The Copper Ion (714 views)
Journal Of Thermal Analysis And Calorimetry (ISSN: 1388-6150), 2008 Sep; 93(2): 575-581.
Impact Factor: 1.63
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Malaguarnera R, Vella V, Pandini G, Sanfilippo M, Pezzino V, Vigneri R, Frasca F
* TAp73α increases p53 tumor suppressor activity in thyroid cancer cells via the inhibition of Mdm2-mediated degradation (796 views)
Mol Cancer Res (ISSN: 1541-7786), 2008; 6(1): 64-77.
Impact Factor: 4.533
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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 (748 views)
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Impact Factor: 1.768
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Di Fiore A, Scozzafava A, Winum JY, Montero JL, Pedone C, Supuran CT, De Simone G
* Carbonic anhydrase inhibitors: binding of an antiglaucoma glycosyl-sulfanilamide derivative to human isoform II and its consequences for the drug design of enzyme inhibitors incorporating sugar moieties (657 views)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2007 Mar 15; 17(6): 1726-1731.
Impact Factor: 2.604
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Ronga L, Palladino P, Costantini S, Facchiano A, Ruvo M, Benedetti E, Ragone R, Rossi F
* Conformational diseases and structure-toxicity relationships: Lessons from prion-derived peptides (1105 views)
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2007 Feb; 8(1): 83-90.
Impact Factor: 3.259
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Musumeci D, Roviello GN, Moccia M, Pedone C, Bucci EM, Sapio R, Valente M, Fumero S
* Bent oligonucleotide duplexes as HMGB1 inhibitors: A comparative study (676 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(10-12): 1447-1450.
Impact Factor: 0.723
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Moccia M, Musumeci D, Valente M, Roviello GN, Sapio R, Pedone C, Bucci EM
* Thermodynamic studies on PNA and PNA/DNA dendrimer formation (605 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(8-9): 1173-1176.
Impact Factor: 0.723
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Di Gaetano S, Guglielmi F, Arciello A, Mangione P, Monti M, Pagnozzi D, Raimondi S, Giorgetti S, Orru S, Canale C, Pucci P, Dobson CM, Bellotti V, Piccoli R
* Recombinant amyloidogenic domain of ApoA-I: analysis of its fibrillogenic potential (641 views)
Biochemical And Biophysical Research Communications (ISSN: 0006-291x, 0006-291xprint), 2006 Dec 8; 351(1): 223-228.
Impact Factor: 2.855
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Ronga L, Tizzano B, Palladino P, Ragone R, Urso E, Maffia M, Ruvo M, Benedetti E, Rossi F
* The prion protein: structural features and related toxic peptides (884 views)
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285), 2006 Sep; 68(3): 139-147.
Impact Factor: 2.507
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Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (719 views)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
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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 (568 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
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Granata V, Palladino P, Tizzano B, Negro A, Berisio R, Zagari A
* The effect of the osmolyte trimethylamine N-oxide on the stability of the prion protein at low pH (843 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2006 Jun 15; 82(3): 234-240.
Impact Factor: 2.48
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Musumeci D, Valente M, Capasso D, Palumbo R, Gorlach M, Schmidtke M, Zell R, Roviello GN, Sapio R, Pedone C, Bucci EM
* A short PNA targeting coxsackievirus B3 5′-nontranslated region prevents virus-induced cytolysis (821 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Mar; 12(3): 161-170.
Impact Factor: 1.801
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Granata V, Graziano G, Ruggiero A, Raimo G, Masullo M, Arcari P, Vitagliano L, Zagari A
* Chemical Denaturation Of The Elongation Factor 1 Alpha Isolated From The Hyperthermophilic Archaeon Sulfolobus Solfataricus (830 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Jan 24; 45(3): 719-726.
Impact Factor: 3.633
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Arena G, Casnati A, Contino A, Magrì A, Sansone F, Sciotto D, Ungaro R
* Inclusion of naturally occurring amino acids in water soluble calix[4]arenes: A microcalorimetric and 1H NMR investigation supported by molecular modeling (580 views)
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2006 Jan 21; 4(2): 243-249.
Impact Factor: 2.874
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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 (1364 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
Impact Factor: 7.696
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Barone V, De Rienzo F, Langella E, Menziani MC, Rega N, Sola M
* A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants (620 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jan 1; 62(1): 262-269.
Impact Factor: 3.73
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Maglio O, Nastri F, Calhoun JR, Lahr S, Wade H, Pavone V, Degrado WF, Lombardi A
* Artificial di-iron proteins: solution characterization of four helix bundles containing two distinct types of inter-helical loops (636 views)
J Biol Inorg Chem (ISSN: 0949-8257print, 0949-8257linking, 1432-1327electronic), 2005 Aug; 10(5): 539-549.
Impact Factor: 3.224
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Tizzano B, Palladino P, De Capua A, Marasco D, Rossi F, Benedetti E, Pedone C, Ragone R, Ruvo M
* The Human Prion Protein Alpha2 Helix: A Thermodynamic Study Of Its Conformational Preferences (970 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2005 Apr 1; 59(1): 72-79.
Impact Factor: 4.684
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Esposito L, Daggett V
* Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations (1201 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.
Impact Factor: 3.848
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Zubrzak P, Banas A, Kaczmarek K, Leplawy MT, Sochacki M, Kowalski ML, Szkudlinska B, Zabrocki J, Di Lello P, Isernia C, Saviano M, Pedone C, Benedetti E
* Analogues of cyclolinopeptide A containing alpha-hydroxymethyl amino acid residues (828 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005; 80(2-3): 347-356.
Impact Factor: 2.425
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Calhoun JR, Nastri F, Maglio O, Pavone V, Lombardi A, Degrado WF
* Artificial diiron proteins: From structure to function (894 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005; 80(2-3): 264-278.
Impact Factor: 2.545
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Vergara A
* Distinct diffusion in macromolecule-solvent mixtures (463 views)
Macromol Theory Simul (ISSN: 1022-1344), 2005; 14(1): 21-25.
Impact Factor: 1.544
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Merlino A, Graziano G, Mazzarella L
* Structural And Dynamic Effects Of Alpha-Helix Deletion In Sso7d: Implications For Protein Thermal Stability (682 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Dec 1; 57(4): 692-701.
Impact Factor: 4.429
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Vitale RM, Pedone C, De Benedetti PG, Fanelli F
* Structural features of the inactive and active states of the melanin-concentrating hormone receptors: Insights from molecular simulations (819 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Sep 15; 56(3): 430-448.
Impact Factor: 4.429
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Cucinotta V, Giuffrida A, La Mendola D, Maccarrone G, Puglisi A, Rizzarelli E, Vecchio G
* 3-Amino Derivative Of Beta-Cyclodextrin: Thermodynamics Of Copper (ii) Complexes And Exploitation Of Its Enantioselectivity In The Separation Of Amino Acid Racemates By Ligand Exchange Capillary Electrophoresis (546 views)
And Life Sciencesjournal Of Chromatography B Analytical Technologies In The Biomedical, 2004 Feb 5; 800(1-2): 127-133.
Impact Factor: 1.403
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Improta R, Barone V
* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (714 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
Impact Factor: 3.168
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Milardi D, Grasso DM, Verbeet MP, Canters GW, La Rosa C
* Thermodynamic analysis of the contributions of the copper ion and the disulfide bridge to azurin stability: Synergism among multiple depletions (582 views)
Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking), 2003 Jun 1; 414(1): 121-127.
Impact Factor: 2.338
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Pappalardo M, Milardi D, Grasso DM, La Rosa C
* Free energy perturbation and molecular dynamics calculations of copper binding to azurin (694 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.
Impact Factor: 3.186
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Maglio O, Nastri F, Pavone V, Lombardi A, Degrado WF
* Preorganization of molecular binding sites in designed diiron proteins (629 views)
P Natl Acad Sci Usa (ISSN: 0027-8424print, 0027-8424linking), 2003 Apr 1; 100(7): 3772-3777.
Impact Factor: 10.272
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Guzzi R, Milardi D, La Rosa C, Grasso D, Verbeet MP, Canters GW, Sportelli L
* The effect of copper/zinc replacement on the folding free energy of wild type and Cys3Ala/Cys26Ala azurin (574 views)
Int J Biol Macromol (ISSN: 0141-8130, 0141-8130linking, 1879-0003electronic), 2003 Jan 15; 31(4-5): 163-170.
Impact Factor: 1.427
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Grasso D, Milardi D, Guantieri V, La Rosa C, Rizzarelli E
* Interaction of prion peptide PrP 180-193 with DPPC model membranes: A thermodynamic study (738 views)
New J Chem (ISSN: 1144-0546), 2003; 27(2): 359-364.
Impact Factor: 2.272
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Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
* Global and local motions in ribonuclease A: A molecular dynamics study (850 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.
Impact Factor: 2.372
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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 (1047 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Sep 25; 124(38): 11531-11540.
Impact Factor: 6.201
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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 (612 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jul 3; 124(26): 7857-7865.
Impact Factor: 6.201
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Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions between nuclear factor κB (NF-κB) transcription factors and a PNA-DNA chimera mimicking NF-κB binding sites (970 views)
Eur J Biochem (ISSN: 0014-2956, 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 2.849
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Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions with nuclear factor kappaB (NF-kappaB) transcription factors of a PNA-DNA chimera mimicking NF-kappaB binding sites (683 views)
Eur J Biochem (ISSN: 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 4.779
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De Simone G, Menchise V, Manco G, Mandrich L, Sorrentino N, Lang D, Rossi M, Pedone C
* The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus (843 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2001 Nov 30; 314(3): 507-518.
Impact Factor: 5.826
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Saviano M, Romanelli A, Bucci E, Pedone C, Mischiati C, Bianchi N, Feriotto G, Borgatti M, Gambari R
Computational procedures to explain the different biological activity of DNA/DNA, DNA/PNA and PNA/PNA hybrid molecules mimicking NF-κB binding sites (855 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2000 Dec; 18(3): 353-362.
Impact Factor: 1.826
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Oliva R, Falcigno L, D'Auria G, Zanotti G, Paolillo L
Conformation and calcium-binding properties of a bicyclic nonapeptide (674 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 27-36.
Impact Factor: 2.405
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Martínez JC, Viguera AR, Berisio R, Wilmanns M, Mateo PL, Filimonov VV, Serrano L
Thermodynamic analysis of α-spectrin SH3 and two of its circular permutants with different loop lengths: Discerning the reasons for rapid folding in proteins (2652 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 1999 Jan 12; 38(2): 549-559.
Impact Factor: 4.493
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Bonomo RP, Cucinotta V, D'Alessandro F, Impellizzeri G, Maccarrone G, Rizzarelli E, Vecchio G, Carima L, Corradini R, Sartor G, Marchelli R
Chiral recognition by the copper(ii) complex of 6-deoxy-6-n-(2 - methylaminopyridine)-β-cyclodextrin (1192 views)
Chirality (ISSN: 0899-0042), 1997; 9(4): 341-349.
Impact Factor: 1.915
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Mazzeo M, Isernia C, Rossi F, Saviano M, Pedone C, Paolillo L, Benedetti E, Pavone V
Conformational Behaviour of a Cyclolinopeptide A Analogue: Two-dimensional NMR study of cyclo(Pro(1)-Pro-Phe-Phe-Ac(6)c-Ile-ala-Val(8)) (619 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 1995 Sep; 1(5): 330-340.
Impact Factor: 1.311
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Rossi F, Saviano M, Di Blasio B, Zanotti G, Maione AM, Tancredi T, Pedone C
BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE (755 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Feb; 34(2): 273-284.
Impact Factor: 2.425
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* CD, UV, and In Silico Insights on the Effect of 1, 3-Bis(1'-uracilyl)-2-propanone on Serum Albumin Structure (529 views)
Biomolecules (ISSN: 2218-273xlinking), 2022 Aug 3; 12(8): 1071-1088.
Impact Factor: 6.064
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Scognamiglio PL, Vicidomini C, Fontanella F, De Stefano C, Palumbo R, Roviello GN
* Protein Binding of Benzofuran Derivatives: A CD Spectroscopic and In Silico Comparative Study of the Effects of 4-Nitrophenyl Functionalized Benzofurans and Benzodifurans on BSA Protein Structure (270 views)
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Impact Factor: 6.064
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Lizondo-aranda P, Martínez-fernández L, Miranda MA, Improta R, Gustavsson T, Lhiaubet-vallet V
* The Excited State Dynamics of a Mutagenic Cytidine Etheno Adduct Investigated by Combining Time-Resolved Spectroscopy and Quantum Mechanical Calculations (285 views)
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Impact Factor: 6.475
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Smaldone G, Caruso D, Sandomenico A, Iaccarino E, Focà A, Ruggiero A, Ruvo M, Vitagliano L
* Members of the GADD45 Protein Family Show Distinct Propensities to form Toxic Amyloid-Like Aggregates in Physiological Conditions (241 views)
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Impact Factor: 2.598
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Siciliano G, Corricelli M, Iacobazzi RM, Canepa F, Comegna D, Fanizza E, Del Gatto A, Saviano M, Laquintana V, Comparelli R, Mascolo G, Murgolo S, Striccoli M, Agostiano A, Denora N, Zaccaro L, Curri ML, Depalo N
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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
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Impact Factor: 2.094
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Vincenzi M, Mercurio FA, Leone M
* About TFE: Old and New Findings (329 views)
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Impact Factor: 3.011
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Smaldone G, Balasco N, Vigorita M, Ruggiero A, Cozzolino S, Berisio R, Del Vecchio P, Graziano G, Vitagliano L
* Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection (564 views)
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Impact Factor: 3.909
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Autiero I, Ruvo M, Improta R, Vitagliano L
* The intrinsic flexibility of the aptamer targeting the ribosomal protein S8 is a key factor for the molecular recognition (713 views)
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Chawla M, Autiero I, Oliva R, Cavallo L
Energetics and dynamics of the non-natural fluorescent 4AP: DAP base pair (240 views)
Phys Chem Chem Phys (ISSN: 1463-9076linking), 2018 Jan 31; 20 (5 ): 3699-3709.
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Magri A, Pietropaolo A, Tabbì G, La Mendola D, Rizzarelli E
* From Peptide Fragments to Whole Protein: Copper(II) Load and Coordination Features of IAPP (944 views) (PDF 169 views)
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Impact Factor: 5.16
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Deiana M, Mettra B, Martinez-fernandez L, Mazur LM, Pawlik K, Andraud C, Samoc M, Improta R, Monnereau C, Matczyszyn K
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Oliveri V, Bellia F, Viale M, Maric I, Vecchio G
* Linear polymers of beta and gamma cyclodextrins with a polyglutamic acid backbone as carriers for doxorubicin (749 views)
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Impact Factor: 5.158
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Sgarlata C, Mugridge JS, Pluth MD, Zito V, Arena G, Raymond KN
* Different and Often Opposing Forces Drive the Encapsulation and Multiple Exterior Binding of Charged Guests to a M4 L6 Supramolecular Vessel in Water (486 views)
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Impact Factor: 5.16
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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 (1515 views)
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Deplano A, Morgillo CM, Demurtas M, Bjorklund E, Cipriano M, Svensson M, Hashemian S, Smaldone G, Pedone E, Luque FJ, Cabiddu MG, Novellino E, Fowler CJ, Catalanotti B, Onnis V
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Impact Factor: 4.816
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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 (854 views)
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Impact Factor: 5.16
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Cucciolito ME, Trinchillo M, Iannitti R, Palumbo R, Tesauro D, Tuzi A, Ruffo F, D'Amora A
* Sugar-Incorporated N-Heterocyclic-Carbene-Containing Gold(I) Complexes: Synthesis, Characterization, and Cytotoxic Evaluation (587 views)
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Impact Factor: 2.507
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Nicastro MC, Spigolon D, Librizzi F, Moran O, Ortore MG, Bulone D, Biagio PLS, Carrotta R
* Amyloid β-peptide insertion in liposomes containing GM1-cholesterol domains (676 views)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2016; 208: 9-16.
Impact Factor: 2.402
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Diana D, De Rosa L, Palmieri M, Russomanno A, Russo L, La Rosa C, Milardi D, Colombo G, D'Andrea LD, Fattorusso R
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Impact Factor: 5.228
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Paladino A, Morra G, Colombo G
Structural Stability and Flexibility Direct the Selection of Activating Mutations in Epidermal Growth Factor Receptor Kinase (901 views)
J Chem Inf Model (ISSN: 1549-9596linking), 2015 Jul 27; 55 (7 ): 1377-1387.
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Autiero I, Saviano M, Langella E
* Conformational studies of chiral D-Lys-PNA and achiral PNA system in binding with DNA or RNA through a molecular dynamics approach (1021 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015 Feb 16; 91: 109-117.
Impact Factor: 3.902
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Berisio R, Squeglia F, Ruggiero A, Petraccone L, Stellato MI, Del Vecchio P
* Differential thermodynamic behaviours of the extra-cellular regions of two Ser/Thr PrkC kinases revealed by calorimetric studies (795 views)
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Impact Factor: 5.158
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Lanza V, D'Agata R, Iacono G, Bellia F, Spoto G, Vecchio G
* Cyclam glycoconjugates as lectin ligands and protective agents of metal-induced amyloid aggregation (798 views)
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Impact Factor: 3.205
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Pica A, Graziano G
* On the effect of sodium chloride and sodium sulfate on cold denaturation (551 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015; 10(7): N/D-N/D.
Impact Factor: 3.057
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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 (796 views)
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Impact Factor: 9.674
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Graziano G, Merlino A
* Molecular bases of protein halotolerance (945 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Apr; 1844(4): 850-858.
Impact Factor: 4.882
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Andreotti G, Citro V, Correra A, Cubellis MV
* A thermodynamic assay to test pharmacological chaperones for Fabry disease (1212 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Mar; 1840(3): 1214-1224.
Impact Factor: 4.882
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Romanucci V, Milardi D, Campagna T, Gaglione M, Messere A, D'Urso A, Crisafi E, La Rosa C, Zarrelli A, Balzarini J, Di Fabio G
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Impact Factor: 2.793
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Russo Krauss I, Parkinson GN, Merlino A, Mattia CA, Randazzo A, Novellino E, Mazzarella L, Sica F
* A regular thymine tetrad and a peculiar supramolecular assembly in the first crystal structure of an all-LNA G-quadruplex (946 views)
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Impact Factor: 7.232
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GrassoG, Magrì A, Bellia F, Pietropaolo A, La Mendola D, Rizzarelli E
* The Copper (ii) And Zinc (ii) Coordination Mode Of Hexxh And Hxxeh Motif In Small Peptides: The Role Of Carboxylate Location And Hydrogen Bonding Network (926 views)
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Impact Factor: 3.444
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Tabbì G, Giuffrida A, Bonomo RP
* 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 (679 views)
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2013 Nov; 128: 137-145.
Impact Factor: 3.274
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Del Giudice I, Limauro D, Pedone E, Bartolucci S, Fiorentino G
* A novel arsenate reductase from the bacterium Thermus thermophilus HB27: Its role in arsenic detoxification (880 views)
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Impact Factor: 3.191
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De Simonea A, Stanzione F, Marasco D, Vitagliano L, Esposito L
* The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics (1186 views)
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Impact Factor: 2.983
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Palmieri M, Malgieri G, Russo L, Baglivo I, Esposito S, Netti F, Del Gatto A, De Paola I, Zaccaro L, Pedone PV, Isernia C, Milardi D, Fattorusso R
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J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2013 Apr 2; 135(13): 5220-5228.
Impact Factor: 11.444
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Ruggiero A, Marchant J, Squeglia F, Makarov V, De Simone A, Berisio R
* Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis (898 views)
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Impact Factor: 2.983
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Pica A, Russo Krauss I, Castellano I, La Cara F, Graziano G, Sica F, Merlino A
* Effect Of Nacl On The Conformational Stability Of The Thermophilic Gamma-Glutamyltranspeptidase From Geobacillus Thermodenitrificans: Implication For Globular Protein Halotolerance (838 views)
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Impact Factor: 3.191
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Pannuzzo M, Milardi D, Raudino A, Karttunen M, La Rosa C
* Analytical model and multiscale simulations of Aβ peptide aggregation in lipid membranes: Towards a unifying description of conformational transitions, oligomerization and membrane damage (1034 views)
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Impact Factor: 4.198
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Pannuzzo M, Raudino A, Milardi D, La Rosa C, Karttunen M
* α-Helical structures drive early stages of self-assembly of amyloidogenic amyloid polypeptide aggregate formation in membranes (2044 views)
Sci Rep (ISSN: 2045-2322, 2045-2322electronic, 2045-2322linking), 2013; 3: N/D-N/D.
Impact Factor: 5.078
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Coppola D, Abbruzzetti S, Nicoletti F, Merlino A, Gambacurta A, Giordano D, Howes BD, De Sanctis G, Vitagliano L, Bruno S, di Prisco G, Mazzarella L, Smulevich G, Coletta M, Viappiani C, Vergara A, Verde C
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Impact Factor: 3.35
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Magrì A, D'Alessandro F, Di Stefano DA, Campagna T, Pappalardo G, Impellizzeri G, La Mendola D
* Copper(ii) Coordination Properties Of The Integrin Ligand Sequence Phsrn And Its New Beta-Cyclodextrin Conjugates (817 views)
Journal Of Inorganic Biochemistry, 2012 Sep; 113: 15-24.
Impact Factor: 3.444
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Mercurio FA, Marasco D, Pirone L, Pedone E, Pellecchia M, Leone M
* Solution Structure of the First Sam Domain of Odin and Binding Studies with the EphA2 Receptor (872 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2012 Mar 13; 51(10): 2136-2145.
Impact Factor: 3.377
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Galdiero S, Vitiello M, Falanga A, Cantisani M, Incoronato N, Galdiero M
* Intracellular Delivery: Exploiting Viral Membranotropic Peptides (1648 views)
Current Drug Metabolism (ISSN: 1389-2002), 2012 Jan; 13(1): 93-104.
Impact Factor: 4.405
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Weigel A, Pfaffe M, Sajadi M, Mahrwald R, Improta R, Barone V, Polli D, Cerullo G, Ernsting NP, Santoro F
* Barrierless photoisomerisation of the "simplest cyanine": Joining computational and femtosecond optical spectroscopies to trace the full reaction path (516 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2012; 14(38): 13350-13364.
Impact Factor: 3.829
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Picconi D, Barone V, Lami A, Santoro F, Improta R
* The Interplay between ππ*/nπ* excited states in gas-phase thymine: A quantum dynamical study (558 views)
Chemphyschem (ISSN: 1439-4235, 1439-7641, 1439-7641electronic), 2011 Jul 11; 12(10): 1957-1968.
Impact Factor: 3.412
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Lanza V, Bellia F, D'Agata R, Grasso G, Rizzarelli E, Vecchio G
* New glycoside derivatives of carnosine and analogs resistant to carnosinase hydrolysis: synthesis and characterization of their copper(II) complexes (853 views)
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Impact Factor: 3.354
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Pizzo E, Merlino A, Turano M, Russo Krauss I, Coscia F, Zanfardino A, Varcamonti M, Furia A, Giancola C, Mazzarella L, Sica F, D'Alessio G
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Impact Factor: 4.897
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Cucinotta V, Giuffrida A, Grasso G, MacCarrone G, Mazzaglia A, Messina M, Vecchio G
* Diaminotrehalose-capped β-cyclodextrin, a new member of hemispherodextrins: Synthesis, thermodynamic and spectroscopic characterization and its exploitation in chiral electrokinetic chromatography (576 views)
J Sep Sci (ISSN: 1615-9306), 2011 Jan; 34(1): 70-76.
Impact Factor: 2.733
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Bonaccorso C, Sgarlata C, Grasso G, Zito V, Sciotto D, Arena G
* A gemini guest triggers the self-assembly of a calixarene capsule in water at neutral pH (751 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2011; 47(21): 6117-6119.
Impact Factor: 6.169
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Andreotti G, Guarracino MR, Cammisa M, Correra A, Cubellis MV
* Prediction of the responsiveness to pharmacological chaperones: lysosomal human alpha-galactosidase, a case of study (836 views)
Orphanet Journal Of Rare Diseases (ISSN: 1750-1172), 2010 Dec 8; 5: 36-36.
Impact Factor: 5.933
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La Mendola D, Magrì A, Vagliasindi LI, Hansson Ö, Bonomo RP, Rizzarelli E
* Copper(II) complex formation with a linear peptide encompassing the putative cell binding site of angiogenin (767 views)
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Impact Factor: 3.647
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Banyasz A, Karpati S, Mercier Y, Reguero M, Gustavsson T, Markovitsi D, Improta R
* The peculiar spectral properties of amino-substituted uracils: A combined theoretical and experimental study (667 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Oct 7; 114(39): 12708-12719.
Impact Factor: 3.603
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La Mendola D, Magrì A, Campagna T, Campitiello MA, Raiola L, Isernia C, Hansson O, Bonomo RP, Rizzarelli E
* A doppel alpha-helix peptide fragment mimics the copper(II) interactions with the whole protein (1765 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2010 Jun 1; 16(21): 6212-6223.
Impact Factor: 5.476
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Sgarlata C, Mugridge JS, Pluth MD, Tiedemann BE, Zito V, Arena G, Raymond KN
* External and Internal Guest Binding of a Highly Charged Supramolecular Host in Water: Deconvoluting the Very Different Thermodynamics (535 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2010 Jan 27; 132(3): 1005-1009.
Impact Factor: 9.023
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Satriano C, Messina GM, Marino C, Aiello I, Conte E, La Mendola D, Distefano DA, D'Alessandro F, Pappalardo G, Impellizzeri G
* Surface immobilization of fibronectin-derived PHSRN peptide on functionalized polymer films - Effects on fibroblast spreading (889 views)
J Colloid Interface Sci (ISSN: 1095-7103electronic, 0021-9797linking), 2010 Jan 15; 341(2): 232-239.
Impact Factor: 3.068
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Milardi D, Pappalardo M, Grasso DM, La Rosa C
* Unveiling the unfolding pathway of FALS associated G37R SOD1 mutant: A computational study (652 views)
Mol Biosyst (ISSN: 1742-206x), 2010; 6(6): 1032-1039.
Impact Factor: 3.825
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Vitagliano L, Stanzione F, De Simone A, Esposito L
* Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces (1291 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.
Impact Factor: 2.605
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Ruggiero A, Masullo M, Marasco D, Ruocco MR, Grimaldi P, Arcari P, Zagari A, Vitagliano L
* The dimeric structure of Sulfolobus solfataricus thioredoxin A2 and the basis of its thermostability (1044 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2009 Dec; 77(4): 1004-1008.
Impact Factor: 3.085
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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 (1404 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Oct; 15(10): 647-653.
Impact Factor: 1.807
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Palladino P, Ronga L, Benedetti E, Rossi F, Ragone R
* Peptide Fragment Approach to Prion Misfolding: The Alpha-2 Domain (757 views)
Int J Pept Res Ther (ISSN: 1573-3149, 0929-5666), 2009 Sep; 15(3): 165-176.
Impact Factor: 0.869
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Di Natale G, Osz K, Nagy Z, Sanna D, Micera G, Pappalardo G, Sovago I, Rizzarelli E
* The Interaction Of Copper (ii) With The Prion Peptide Fragment Huprp (76-114) Encompassing Four Histidyl Residues Within And Outside The Octarepeat Domain (1242 views)
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 2009 May 4; 48(9): 4239-4250.
Impact Factor: 4.657
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Giordano D, Boechi L, Vergara A, Marti MA, Samuni U, Dantsker D, Grassi L, Estrin DA, Friedman JM, Mazzarella L, Di Prisco G, Verde C
* The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics (1166 views)
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.
Impact Factor: 3.042
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* Molecular dynamics studies of the P pilus rod subunit PapA (959 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.
Impact Factor: 1.807
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La Mendola D, Bonomo RP, Caminati S, Di Natale G, Emmi SS, Hansson O, Maccarrone G, Pappalardo G, Pietropaolo A, Rizzarelli E
* Copper(II) complexes with an avian prion N-terminal region and their potential SOD-like activity (753 views)
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2009 Feb; 103(2): 195-204.
Impact Factor: 3.252
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Ronga L, Palladino P, Ragone R, Benedetti E, Rossi F
* A thermodynamic approach to the conformational preferences of the 180-195 segment derived from the human prion protein α2-helix (514 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009; 15(1): 30-35.
Impact Factor: 1.807
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Sgarlata C, Bonaccorso C, Gulino FG, Zito V, Arena G, Sciotto D
* Sterochemistry And Thermodynamics Of The Inclusion Of Aliphatic And Aromatic Anionic Guests In A Tetracationic Calix [4] Arene In Acidic And Neutral Aqueous Solutions (429 views)
New Journal Of Chemistry, 2009; 33: 991-991.
Impact Factor: 3.159
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Marasco D, Perretta G, Sabatella M, Ruvo M
* Past and Future Perspectives of Synthetic Peptide Libraries (908 views)
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2008 Oct; 9(5): 447-467.
Impact Factor: 3.011
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Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
* Structure and dimerization of the teleost transmembrane immunoglobulin region (826 views)
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.
Impact Factor: 2.347
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Pappalardo M, Sciacca MFM, Milardi D, Grasso DM, La Rosa C
* Thermodynamics Of Azurin Folding: The Role Of The Copper Ion (714 views)
Journal Of Thermal Analysis And Calorimetry (ISSN: 1388-6150), 2008 Sep; 93(2): 575-581.
Impact Factor: 1.63
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Malaguarnera R, Vella V, Pandini G, Sanfilippo M, Pezzino V, Vigneri R, Frasca F
* TAp73α increases p53 tumor suppressor activity in thyroid cancer cells via the inhibition of Mdm2-mediated degradation (796 views)
Mol Cancer Res (ISSN: 1541-7786), 2008; 6(1): 64-77.
Impact Factor: 4.533
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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 (748 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2007 Apr; 13(4): 211-219.
Impact Factor: 1.768
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Di Fiore A, Scozzafava A, Winum JY, Montero JL, Pedone C, Supuran CT, De Simone G
* Carbonic anhydrase inhibitors: binding of an antiglaucoma glycosyl-sulfanilamide derivative to human isoform II and its consequences for the drug design of enzyme inhibitors incorporating sugar moieties (657 views)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2007 Mar 15; 17(6): 1726-1731.
Impact Factor: 2.604
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Ronga L, Palladino P, Costantini S, Facchiano A, Ruvo M, Benedetti E, Ragone R, Rossi F
* Conformational diseases and structure-toxicity relationships: Lessons from prion-derived peptides (1105 views)
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2007 Feb; 8(1): 83-90.
Impact Factor: 3.259
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Musumeci D, Roviello GN, Moccia M, Pedone C, Bucci EM, Sapio R, Valente M, Fumero S
* Bent oligonucleotide duplexes as HMGB1 inhibitors: A comparative study (676 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(10-12): 1447-1450.
Impact Factor: 0.723
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Moccia M, Musumeci D, Valente M, Roviello GN, Sapio R, Pedone C, Bucci EM
* Thermodynamic studies on PNA and PNA/DNA dendrimer formation (605 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(8-9): 1173-1176.
Impact Factor: 0.723
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Di Gaetano S, Guglielmi F, Arciello A, Mangione P, Monti M, Pagnozzi D, Raimondi S, Giorgetti S, Orru S, Canale C, Pucci P, Dobson CM, Bellotti V, Piccoli R
* Recombinant amyloidogenic domain of ApoA-I: analysis of its fibrillogenic potential (641 views)
Biochemical And Biophysical Research Communications (ISSN: 0006-291x, 0006-291xprint), 2006 Dec 8; 351(1): 223-228.
Impact Factor: 2.855
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Ronga L, Tizzano B, Palladino P, Ragone R, Urso E, Maffia M, Ruvo M, Benedetti E, Rossi F
* The prion protein: structural features and related toxic peptides (884 views)
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285), 2006 Sep; 68(3): 139-147.
Impact Factor: 2.507
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Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (719 views)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
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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 (568 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
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Granata V, Palladino P, Tizzano B, Negro A, Berisio R, Zagari A
* The effect of the osmolyte trimethylamine N-oxide on the stability of the prion protein at low pH (843 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2006 Jun 15; 82(3): 234-240.
Impact Factor: 2.48
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Musumeci D, Valente M, Capasso D, Palumbo R, Gorlach M, Schmidtke M, Zell R, Roviello GN, Sapio R, Pedone C, Bucci EM
* A short PNA targeting coxsackievirus B3 5′-nontranslated region prevents virus-induced cytolysis (821 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Mar; 12(3): 161-170.
Impact Factor: 1.801
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Granata V, Graziano G, Ruggiero A, Raimo G, Masullo M, Arcari P, Vitagliano L, Zagari A
* Chemical Denaturation Of The Elongation Factor 1 Alpha Isolated From The Hyperthermophilic Archaeon Sulfolobus Solfataricus (830 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Jan 24; 45(3): 719-726.
Impact Factor: 3.633
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Arena G, Casnati A, Contino A, Magrì A, Sansone F, Sciotto D, Ungaro R
* Inclusion of naturally occurring amino acids in water soluble calix[4]arenes: A microcalorimetric and 1H NMR investigation supported by molecular modeling (580 views)
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2006 Jan 21; 4(2): 243-249.
Impact Factor: 2.874
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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 (1364 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.
Impact Factor: 7.696
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Barone V, De Rienzo F, Langella E, Menziani MC, Rega N, Sola M
* A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants (620 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jan 1; 62(1): 262-269.
Impact Factor: 3.73
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Maglio O, Nastri F, Calhoun JR, Lahr S, Wade H, Pavone V, Degrado WF, Lombardi A
* Artificial di-iron proteins: solution characterization of four helix bundles containing two distinct types of inter-helical loops (636 views)
J Biol Inorg Chem (ISSN: 0949-8257print, 0949-8257linking, 1432-1327electronic), 2005 Aug; 10(5): 539-549.
Impact Factor: 3.224
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Tizzano B, Palladino P, De Capua A, Marasco D, Rossi F, Benedetti E, Pedone C, Ragone R, Ruvo M
* The Human Prion Protein Alpha2 Helix: A Thermodynamic Study Of Its Conformational Preferences (970 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2005 Apr 1; 59(1): 72-79.
Impact Factor: 4.684
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Esposito L, Daggett V
* Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations (1201 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.
Impact Factor: 3.848
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Zubrzak P, Banas A, Kaczmarek K, Leplawy MT, Sochacki M, Kowalski ML, Szkudlinska B, Zabrocki J, Di Lello P, Isernia C, Saviano M, Pedone C, Benedetti E
* Analogues of cyclolinopeptide A containing alpha-hydroxymethyl amino acid residues (828 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005; 80(2-3): 347-356.
Impact Factor: 2.425
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Calhoun JR, Nastri F, Maglio O, Pavone V, Lombardi A, Degrado WF
* Artificial diiron proteins: From structure to function (894 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005; 80(2-3): 264-278.
Impact Factor: 2.545
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Vergara A
* Distinct diffusion in macromolecule-solvent mixtures (463 views)
Macromol Theory Simul (ISSN: 1022-1344), 2005; 14(1): 21-25.
Impact Factor: 1.544
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Merlino A, Graziano G, Mazzarella L
* Structural And Dynamic Effects Of Alpha-Helix Deletion In Sso7d: Implications For Protein Thermal Stability (682 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Dec 1; 57(4): 692-701.
Impact Factor: 4.429
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Vitale RM, Pedone C, De Benedetti PG, Fanelli F
* Structural features of the inactive and active states of the melanin-concentrating hormone receptors: Insights from molecular simulations (819 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Sep 15; 56(3): 430-448.
Impact Factor: 4.429
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Cucinotta V, Giuffrida A, La Mendola D, Maccarrone G, Puglisi A, Rizzarelli E, Vecchio G
* 3-Amino Derivative Of Beta-Cyclodextrin: Thermodynamics Of Copper (ii) Complexes And Exploitation Of Its Enantioselectivity In The Separation Of Amino Acid Racemates By Ligand Exchange Capillary Electrophoresis (546 views)
And Life Sciencesjournal Of Chromatography B Analytical Technologies In The Biomedical, 2004 Feb 5; 800(1-2): 127-133.
Impact Factor: 1.403
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Improta R, Barone V
* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (714 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
Impact Factor: 3.168
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Milardi D, Grasso DM, Verbeet MP, Canters GW, La Rosa C
* Thermodynamic analysis of the contributions of the copper ion and the disulfide bridge to azurin stability: Synergism among multiple depletions (582 views)
Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking), 2003 Jun 1; 414(1): 121-127.
Impact Factor: 2.338
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Pappalardo M, Milardi D, Grasso DM, La Rosa C
* Free energy perturbation and molecular dynamics calculations of copper binding to azurin (694 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.
Impact Factor: 3.186
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Maglio O, Nastri F, Pavone V, Lombardi A, Degrado WF
* Preorganization of molecular binding sites in designed diiron proteins (629 views)
P Natl Acad Sci Usa (ISSN: 0027-8424print, 0027-8424linking), 2003 Apr 1; 100(7): 3772-3777.
Impact Factor: 10.272
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Guzzi R, Milardi D, La Rosa C, Grasso D, Verbeet MP, Canters GW, Sportelli L
* The effect of copper/zinc replacement on the folding free energy of wild type and Cys3Ala/Cys26Ala azurin (574 views)
Int J Biol Macromol (ISSN: 0141-8130, 0141-8130linking, 1879-0003electronic), 2003 Jan 15; 31(4-5): 163-170.
Impact Factor: 1.427
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Grasso D, Milardi D, Guantieri V, La Rosa C, Rizzarelli E
* Interaction of prion peptide PrP 180-193 with DPPC model membranes: A thermodynamic study (738 views)
New J Chem (ISSN: 1144-0546), 2003; 27(2): 359-364.
Impact Factor: 2.272
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Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
* Global and local motions in ribonuclease A: A molecular dynamics study (850 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.
Impact Factor: 2.372
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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 (1047 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Sep 25; 124(38): 11531-11540.
Impact Factor: 6.201
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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 (612 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jul 3; 124(26): 7857-7865.
Impact Factor: 6.201
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Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions between nuclear factor κB (NF-κB) transcription factors and a PNA-DNA chimera mimicking NF-κB binding sites (970 views)
Eur J Biochem (ISSN: 0014-2956, 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 2.849
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Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions with nuclear factor kappaB (NF-kappaB) transcription factors of a PNA-DNA chimera mimicking NF-kappaB binding sites (683 views)
Eur J Biochem (ISSN: 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 4.779
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De Simone G, Menchise V, Manco G, Mandrich L, Sorrentino N, Lang D, Rossi M, Pedone C
* The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus (843 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2001 Nov 30; 314(3): 507-518.
Impact Factor: 5.826
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Saviano M, Romanelli A, Bucci E, Pedone C, Mischiati C, Bianchi N, Feriotto G, Borgatti M, Gambari R
Computational procedures to explain the different biological activity of DNA/DNA, DNA/PNA and PNA/PNA hybrid molecules mimicking NF-κB binding sites (855 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2000 Dec; 18(3): 353-362.
Impact Factor: 1.826
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Oliva R, Falcigno L, D'Auria G, Zanotti G, Paolillo L
Conformation and calcium-binding properties of a bicyclic nonapeptide (674 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 27-36.
Impact Factor: 2.405
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Martínez JC, Viguera AR, Berisio R, Wilmanns M, Mateo PL, Filimonov VV, Serrano L
Thermodynamic analysis of α-spectrin SH3 and two of its circular permutants with different loop lengths: Discerning the reasons for rapid folding in proteins (2652 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 1999 Jan 12; 38(2): 549-559.
Impact Factor: 4.493
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Bonomo RP, Cucinotta V, D'Alessandro F, Impellizzeri G, Maccarrone G, Rizzarelli E, Vecchio G, Carima L, Corradini R, Sartor G, Marchelli R
Chiral recognition by the copper(ii) complex of 6-deoxy-6-n-(2 - methylaminopyridine)-β-cyclodextrin (1192 views)
Chirality (ISSN: 0899-0042), 1997; 9(4): 341-349.
Impact Factor: 1.915
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Mazzeo M, Isernia C, Rossi F, Saviano M, Pedone C, Paolillo L, Benedetti E, Pavone V
Conformational Behaviour of a Cyclolinopeptide A Analogue: Two-dimensional NMR study of cyclo(Pro(1)-Pro-Phe-Phe-Ac(6)c-Ile-ala-Val(8)) (619 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 1995 Sep; 1(5): 330-340.
Impact Factor: 1.311
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Rossi F, Saviano M, Di Blasio B, Zanotti G, Maione AM, Tancredi T, Pedone C
BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE (755 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Feb; 34(2): 273-284.
Impact Factor: 2.425
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112 Records (107 excluding Abstracts).
Total impact factor: 420.951 (400.368 excluding Abstracts).
Total 5 year impact factor: 442.105 (422.037 excluding Abstracts).
Total impact factor: 420.951 (400.368 excluding Abstracts).
Total 5 year impact factor: 442.105 (422.037 excluding Abstracts).
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