* Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model (416 views)
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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* 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 (842 views)
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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* Seeking for binding determinants of the prion protein to human plasminogen (527 views)
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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* Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues (569 views)
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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* A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants (397 views)
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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* 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 (786 views)
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 novel member of the protein disulfide oxidoreductase family from Aeropyrum pernix K1: Structure, function and electrostatics (640 views)
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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* 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 (733 views)
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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* Development of new molecules that compete with p53 for Binding to TFIIH (435 views)
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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* First archaeal PEPB-serine protease inhibitor from sulfolobus solfataricus with noncanonical amino acid sequence in the reactive-site loop (479 views)
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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* 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 (429 views)
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 (387 views)
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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* Insight into the stereospecificity of short-chain Thermus thermophilus alcohol dehydrogenase showing pro-S hydride transfer and Prelog enantioselectivity (697 views)
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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* Probing The Peptidylglycine Alpha-Hydroxylating Monooxygenase Active Site With Novel 4-Phenyl-3-Butenoic Acid Based Inhibitors (468 views)
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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* Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus (558 views)
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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* Acylpeptide hydrolase inhibition as targeted strategy to induce proteasomal down-regulation (790 views)
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, 1932-6203linking), 2011 Oct 10; 6(10): e25888-e25888.
Impact Factor: 4.092
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* Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii (579 views)
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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* In silico investigation and targeting of amyloid beta oligomers of different size (594 views)
Autiero I, Saviano M, Langella E
Mol Biosyst (ISSN: 1742-206x, 1742-2051electronic, 1742-2051linking), 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 (984 views)
Autiero I, Langella E, Saviano M
Mol Biosyst (ISSN: 1742-206x, 1742-2206, 1742-2051linking), 2013 Nov; 9(11): 2835-2841.
Impact Factor: 3.18
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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 (1115 views)
Autiero I, Saviano M, Langella E
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014 Feb 7; 16(5): 1868-1874.
Impact Factor: 4.493
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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 (661 views)
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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* Cadmium-containing carbonic anhydrase CDCA1 in marine diatom Thalassiosira weissflogii (848 views)
Alterio V, Langella E, De Simone G, Monti SM
Mar Drugs (ISSN: 1660-3397, 1660-3397linking), 2015 Mar 25; 13(4): 1688-1697.
Impact Factor: 3.345
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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 (395 views)
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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* Structural identification of an HER2 receptor model binding pocket to optimize lead compounds: a combined experimental and computational approach (392 views)
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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* Disclosing the Interaction of Carbonic Anhydrase IX with Cullin-Associated NEDD8-Dissociated Protein 1 by Molecular Modeling and Integrated Binding Measurements (416 views)
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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* Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations (318 views)
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, 1475-6366linking), 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 (455 views)
Monti DM, De Simone G, Langella E, Supuran CT, Di Fiore A, Monti SM
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2017 Dec; 32(1): 5-12.
Impact Factor: 3.638
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* Evaluation of HER2-specific peptide ligand for its employment as radiolabeled imaging probe (340 views)
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 (ISSN: 2045-2322linking, 2045-2322electronic), 2018 Feb 14; 8(1): 2998-2998.
Impact Factor: 4.259
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* Prosystemin, a prohormone that modulates plant defense barriers, is an intrinsically disordered protein (411 views)
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 Mar; 27(3): 620-632.
Impact Factor: 2.937
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* The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior (394 views)
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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* Biochemical, biophysical and molecular dynamics studies on the proteoglycan-like domain of carbonic anhydrase IX (357 views)
Langella E, Buonanno M, Vullo D, Dathan N, Leone M, Supuran C, De Simone G, Monti SM
Cell Mol Life Sci (ISSN: 1420-682xlinking), 2018 Sep; 75(17): 3283-3296.
Impact Factor: 6.721
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* A combined experimental and computational study on peptide nucleic acid (PNA) analogues of tumor suppressive miRNA-34a (294 views)
Piacenti V, Langella E, Autiero I, Nolan JC, Piskareva O, Adamo MFA, Saviano M, Moccia M
Bioorg Chem (ISSN: 0045-2068linking, 1090-2120electronic), 2019 Oct; 91: 103165-103165.
Impact Factor: 3.9
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* Exploration of the residues modulating the catalytic features of human carbonic anhydrase XIII by a site-specific mutagenesis approach (295 views)
De Simone G, Di Fiore A, Truppo E, Langella E, Vullo D, Supuran CT, Monti SM
J Enzym Inhib Med Ch (ISSN: 1475-6366linking, 1475-6374electronic), 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 (308 views)
Langella E, Alterio V, D'Ambrosio K, Cadoni R, Winum JY, Supuran CT, Monti SM, De Simone G, Di Fiore A
J Enzym Inhib Med Ch (ISSN: 1475-6366linking, 1475-6374electronic), 2019 Dec; 34(1): 1498-1505.
Impact Factor: 4.027
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* Intrinsically disordered features of carbonic anhydrase IX proteoglycan-like domain (130 views)
Langella E, Buonanno M, De Simone G, Monti SM
Cell Mol Life Sci (ISSN: 1420-682xlinking), 2020; 21: 8405-8405.
Impact Factor: 6.496
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* Structural Insights on Tiny Peptide Nucleic Acid (PNA) Analogues of miRNA-34a: An in silico and Experimental Integrated Approach (153 views)
Moccia M, Mercurio FA, Langella E, Piacenti V, Leone M, Adamo MFA, Saviano M
Front Chem (ISSN: 2296-2646linking), 2020 Nov 23; 8: 568575-568575.
Impact Factor: 3.693
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* The Amazing World of IDPs in Human Diseases (127 views)
Monti SM, De Simone G, Langella E, Monti SM, De Simone G, Langella E
Biomolecules (ISSN: 2218-273xlinking), 2021 Feb 23; 11(2): 333-333.
Impact Factor: 4.879
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* Zeta-carbonic anhydrases show CS(2) hydrolase activity: A new metabolic carbon acquisition pathway in diatoms? (143 views)
Alterio V, Langella E, Buonanno M, Esposito D, Nocentini A, Berrino E, Bua S, Polentarutti M, Supuran CT, Monti SM, De Simone G
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2021 Jun 5; 19: 3427-3436.
Impact Factor: 7.271
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* Biochemical, structural, and computational studies of a γ-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei (58 views)
Di Fiore A, De Luca V, Langella E, Nocentini A, Buonanno M, Monti SM, Supuran CT, Capasso C, De Simone G
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2022 Jul 27; 20: 4185-4194.
Impact Factor: 6.155
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* A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors (155 views)
Langella E, Esposito D, Monti SM, Supuran CT, De Simone G, Alterio V
Biology (ISSN: 2079-7737linking), 2023 Feb 10; 12 (2 ): N/D-N/D.
Impact Factor:
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