Langella E - Search Results

1

Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model.

Langella E, Rega N, Improta R, Crescenzi O, Barone V. Langella E, et al. J Comput Chem. 2002 Apr 30;23(6):650-61. doi: 10.1002/jcc.10065. J Comput Chem. 2002. PMID: 11939597

2

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.

Langella E, Improta R, Barone V. Langella E, et al. J Am Chem Soc. 2002 Sep 25;124(38):11531-40. doi: 10.1021/ja020465k. J Am Chem Soc. 2002. PMID: 12236768

3

Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: effect of protonation of histidine residues.

Langella E, Improta R, Barone V. Langella E, et al. Biophys J. 2004 Dec;87(6):3623-32. doi: 10.1529/biophysj.104.043448. Epub 2004 Sep 17. Biophys J. 2004. PMID: 15377536 Free PMC article.

4

A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants.

Barone V, De Rienzo F, Langella E, Menziani MC, Rega N, Sola M. Barone V, et al. Among authors: langella e. Proteins. 2006 Jan 1;62(1):262-9. doi: 10.1002/prot.20772. Proteins. 2006. PMID: 16287118

5

Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pK(a) calculations and molecular dynamics simulations.

Langella E, Improta R, Crescenzi O, Barone V. Langella E, et al. Proteins. 2006 Jul 1;64(1):167-77. doi: 10.1002/prot.20979. Proteins. 2006. PMID: 16639746

6

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.

Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M. Ronga L, et al. Among authors: langella e. Proteins. 2007 Feb 15;66(3):707-15. doi: 10.1002/prot.21204. Proteins. 2007. PMID: 17152078

7

Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.

Langella E, Alterio V, D'Ambrosio K, Cadoni R, Winum JY, Supuran CT, Monti SM, De Simone G, Di Fiore A. Langella E, et al. J Enzyme Inhib Med Chem. 2019 Dec;34(1):1498-1505. doi: 10.1080/14756366.2019.1653291. J Enzyme Inhib Med Chem. 2019. PMID: 31423863 Free PMC article.

8

A novel member of the protein disulfide oxidoreductase family from Aeropyrum pernix K1: structure, function and electrostatics.

D'Ambrosio K, Pedone E, Langella E, De Simone G, Rossi M, Pedone C, Bartolucci S. D'Ambrosio K, et al. Among authors: langella e. J Mol Biol. 2006 Sep 29;362(4):743-52. doi: 10.1016/j.jmb.2006.07.038. Epub 2006 Jul 28. J Mol Biol. 2006. PMID: 16934838

9

First Archaeal PEPB-Serine Protease Inhibitor from Sulfolobus solfataricus with Noncanonical Amino Acid Sequence in the Reactive-Site Loop.

Palmieri G, Catara G, Saviano M, Langella E, Gogliettino M, Rossi M. Palmieri G, et al. Among authors: langella e. J Proteome Res. 2009 Jan;8(1):327-34. doi: 10.1021/pr800587t. J Proteome Res. 2009. PMID: 19118453

10

Probing the peptidylglycine alpha-hydroxylating monooxygenase active site with novel 4-phenyl-3-butenoic acid based inhibitors.

Langella E, Pierre S, Ghattas W, Giorgi M, Réglier M, Saviano M, Esposito L, Hardré R. Langella E, et al. ChemMedChem. 2010 Sep 3;5(9):1568-76. doi: 10.1002/cmdc.201000214. ChemMedChem. 2010. PMID: 20715282

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