* Exploration of the residues modulating the catalytic features of human carbonic anhydrase XIII by a site-specific mutagenesis approach (9 visite)
De Simone G, Di Fiore A, Truppo E, Langella E, Vullo D, Supuran CT, Monti SM
J Enzyme Inhib Med Chem (ISSN: 1475-6366linking), 2019 Dec; 34(1): 1506-1510.
Impact Factor: 4.027
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* Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity (6 visite)
Langella E, Alterio V, D'Ambrosio K, Cadoni R, Winum JY, Supuran CT, Monti SM, De Simone G, Di Fiore A
J Enzyme Inhib Med Chem (ISSN: 1475-6366linking), 2019 Dec; 34(1): 1498-1505.
Impact Factor: 4.027
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* Biochemical, biophysical and molecular dynamics studies on the proteoglycan-like domain of carbonic anhydrase IX (155 visite)
Langella E, Buonanno M, Vullo D, Dathan N, Leone M, Supuran C, De Simone G, Monti SM
Cell Mol Life Sci, 2018 Sep; 75: 3283-3296.
Impact Factor: 6.721
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* The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior (60 visite)
Buonanno M, Di Fiore A, Langella E, D’ambrosio K, Supuran CT, Monti SM, De Simone G
Int J Mol Sc (ISSN: 1661-6596, 1422-0067, 1422-0067electronic), 2018 May; 19(6): 19-24.
Impact Factor: 3.687
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* Evaluation of HER2-specific peptide ligand for its employment as radiolabeled imaging probe (99 visite)
Honarvar H, Calce E, Doti N, Langella E, Orlova A, Buijs J, D’amato V, Bianco R, Saviano M, Tolmachev V, De Luca S
Sci Rep, 2018; 8: 2998-2998.
Impact Factor: 4.259
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* Prosystemin, a prohormone that modulates plant defense barriers, is an intrinsically disordered protein (85 visite)
Buonanno M, Coppola M, Di Lelio I, Molisso D, Leone M, Pennacchio F, Langella E, Rao R, Monti SM
Protein Sci (ISSN: 1469-896xelectronic, 0961-8368linking), 2018; N/D: N/D-N/D.
Impact Factor: 2.937
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* Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations (99 visite)
De Simone G, Langella E, Esposito D, Supuran CT, Monti SM, Winum JY, Alterio V
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic), 2017 Dec; 32(1): 1002-1011.
Impact Factor: 3.638
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* Insights into the role of reactive sulfhydryl groups of Carbonic Anhydrase III and VII during oxidative damage (144 visite)
Monti DM, De Simone G, Langella E, Supuran CT, Di Fiore A, Monti SM
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic), 2017 Dec; 32(1): 5-12.
Impact Factor: 3.638
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* Disclosing the Interaction of Carbonic Anhydrase IX with Cullin-Associated NEDD8-Dissociated Protein 1 by Molecular Modeling and Integrated Binding Measurements (116 visite)
Buonanno M, Langella E, Zambrano N, Succoio M, Sasso E, Alterio V, Di Fiore A, Sandomenico A, Supuran CT, Scaloni A, Monti SM, De Simone G
Acs Chem Biol (ISSN: 1554-8929), 2017 Apr 19; N/D: N/D-N/D.
Impact Factor: 4.592
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* Structural identification of an HER2 receptor model binding pocket to optimize lead compounds: a combined experimental and computational approach (145 visite)
Langella E, Calce E, Saviano M, De Luca S
Mol Biosyst (ISSN: 1742-206x), 2016 Jun 21; 12(7): 2159-2167.
Impact Factor: 2.781
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* A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases (126 visite)
Langella E, D'Ambrosio K, D'Ascenzio M, Carradori S, Monti SM, Supuran CT, De Simone G
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 4; 22(1): 97-100.
Impact Factor: 5.317
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* Cadmium-containing carbonic anhydrase CDCA1 in marine diatom Thalassiosira weissflogii (174 visite)
Alterio V, Langella E, De Simone G, Monti SM
Mar Drugs (ISSN: 1660-3397), 2015 Apr; 13(4): 1688-1697.
Impact Factor: 3.345
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* Conformational studies of chiral D-Lys-PNA and achiral PNA system in binding with DNA or RNA through a molecular dynamics approach (201 visite)
Autiero I, Saviano M, Langella E
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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* Molecular Dynamics Simulations Of Pna-Pna And Pna-Dna Duplexes By The Use Of New Parameters Implemented In The Gromacs Package: A Conformational And Dynamics Study (180 visite)
Autiero I, Saviano M, Langella E
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014; 16(5): 1868-1874.
Impact Factor: 4.493
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* In silico investigation and targeting of amyloid beta oligomers of different size (174 visite)
Autiero I, Saviano M, Langella E
Mol Biosyst (ISSN: 1742-206x, 1742-2051electronic), 2013 Aug; 9(8): 2118-2124.
Impact Factor: 3.18
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* Insights Into The Mechanism Of Interaction Between Trehalose-Conjugated Beta-Sheet Breaker Peptides And Aβ(1-42) Fibrils By Molecular Dynamics Simulations (227 visite)
Autiero I, Langella E, Saviano M
Molecular Biosystems (ISSN: 1742-206x, 1742-2206), 2013; 9(11): 2835-2841.
Impact Factor: 3.18
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* Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii (175 visite)
Alterio V, Langella E, Viparelli F, Vullo D, Ascione G, Dathan NA, Morel FM, Supuran CT, De Simone G, Monti SM
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 May; 94(5): 1232-1241.
Impact Factor: 3.142
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* Acylpeptide Hydrolase Inhibition as Targeted Strategy to Induce Proteasomal Down-Regulation (198 visite)
Palmieri G, Bergamo P, Luini A, Ruvo M, Gogliettino M, Langella E, Saviano M, Hegde RN, Sandomenico A, Rossi M
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2011 Oct 10; 6(10): N/D-N/D.
Impact Factor: 4.092
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* Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus (126 visite)
Limauro D, D'Ambrosio K, Langella E, De Simone G, Galdi I, Pedone C, Pedone E, Bartolucci S
Biochimie (ISSN: 1638-6183, 0300-9084, 1638-6183electronic), 2010 Oct; 92(10): 1435-1444.
Impact Factor: 3.787
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* Probing The Peptidylglycine Alpha-Hydroxylating Monooxygenase Active Site With Novel 4-Phenyl-3-Butenoic Acid Based Inhibitors (174 visite)
Langella E, Pierre S, Ghattas W, Giorgi M, Réglier M, Saviano M, Esposito L, Hardré R
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2010 Sep 3; 5(9): 1568-1576.
Impact Factor: 3.306
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* Insight into the stereospecificity of short-chain Thermus thermophilus alcohol dehydrogenase showing pro-S hydride transfer and Prelog enantioselectivity (148 visite)
Pennacchio A, Giordano A, Esposito L, Langella E, Rossi M, Raia CA
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2010 Apr; 17(4): 437-443.
Impact Factor: 1.849
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* A novel class of protease targets of phosphatidylethanolamine-binding proteins (PEBP): A study of the acylpeptide hydrolase and the PEBP inhibitor from the archaeon Sulfolobus solfataricus (112 visite)
Palmieri G, Langella E, Gogliettino M, Saviano M, Pocsfalvi G, Rossi M
Mol Biosyst (ISSN: 1742-206x), 2010; 6(12): 2498-2507.
Impact Factor: 3.825
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* Exploring Phm Active Site: Characterization Of Novel Pba-Derived Inhibitors Using A Combined Experimental And Computational Approach (111 visite)
Langella E, Pierre S, Ghattas W, Giorgi M, Rglier M, Saviano M,  Esposito L, Hardr R
Chemmedchem, 2010; 5: 1568-1576.
Impact Factor: 3.046
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* First archaeal PEPB-serine protease inhibitor from sulfolobus solfataricus with noncanonical amino acid sequence in the reactive-site loop (120 visite)
Palmieri G, Catara G, Saviano M, Langella E, Gogliettino M, Rossi M
J Proteome Res (ISSN: 1535-3893), 2009 Jan; 8(1): 327-334.
Impact Factor: 5.132
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* Development of new molecules that compete with p53 for Binding to TFIIH (174 visite)
Zaccaro L, Del Gatto A, Saviano M, Langella E, Langlois C, Di Lello P, Baffreau J, Mas C, Legault P, Omichinski JG, Pedone C
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2008 Sep; 14(8): N/D-N/D.
Impact Factor: 1.654
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* Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments (207 visite)
Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
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* A novel member of the protein disulfide oxidoreductase family from Aeropyrum pernix K1: Structure, function and electrostatics (121 visite)
D'Ambrosio K, Pedone E, Langella E, De Simone G, Rossi M, Pedone C, Bartolucci S
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2006 Sep 29; 362(4): 743-752.
Impact Factor: 4.89
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* Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKα calculations and molecular dynamics simulations (193 visite)
Langella E, Improta R, Crescenzi O, Barone V
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jul 1; 64(1): 167-177.
Impact Factor: 3.73
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* A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants (98 visite)
Barone V, De Rienzo F, Langella E, Menziani MC, Rega N, Sola M
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jan 1; 62(1): 262-269.
Impact Factor: 3.73
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* Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues (166 visite)
Langella E, Improta R, Barone V
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Dec; 87(6): 3623-3632.
Impact Factor: 4.585
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* Seeking for binding determinants of the prion protein to human plasminogen (107 visite)
Menziani MC, De Benedetti PG, Langella E, Barone V
Mol Phys (ISSN: 0026-8976), 2003; 101(17): 2763-2773.
Impact Factor: 1.591
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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 (146 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.
Impact Factor: 6.201
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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 (140 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.
Impact Factor: 2.931
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