David Perahia - researchr alias

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Viewing Publication 1 - 6 from 6

2021

Multimolecular complexes of the phosphodiester anion with Zn(II) or Mg(II) and water molecules - Preliminary validations of a polarizable potential by ab initio quantum chemistryNohad Gresh, David Perahia. jcc, 42(20):1430-1446, 2021. [doi]

2020

A New Strategy for Atomic Flexible Fitting in Cryo-EM Maps by Molecular Dynamics with Excited Normal Modes (MDeNM-EMfit)Mauricio G. S. Costa, Charline Fagnen, Catherine Vénien-Bryan, David Perahia. jcisd, 60(5):2419-2423, 2020. [doi]

2016

Complexes of a Zn-metalloenzyme binding site with hydroxamate-containing ligands. A case for detailed benchmarkings of polarizable molecular mechanics/dynamics potentials when the experimental binding structure is unknownNohad Gresh, David Perahia, Benoit de Courcy, Johanna Foret, Celine Roux, Lea El-Khoury, Jean-Philip Piquemal, Laurent Salmon. jcc, 37(32):2770-2782, 2016. [doi]

2014

Polarizable molecular mechanics studies of Cu(I)/Zn(II) superoxide dismutase: Bimetallic binding site and structured watersNohad Gresh, Krystel El Hage, David Perahia, Jean-Philip Piquemal, Catherine Berthomieu, Dorothée Berthomieu. jcc, 35(29):2096-2106, 2014. [doi]

2012

GANM: A protein-ligand docking approach based on genetic algorithm and normal modesAngélica Nakagawa Lima, Eric Allison Philot, David Perahia, Antonio Sérgio Kimus Braz, Luis P. B. Scott. amc, 219(2):511-520, 2012. [doi]

2011

Mutation D816V Alters the Internal Structure and Dynamics of c-KIT Receptor Cytoplasmic Region: Implications for Dimerization and Activation MechanismsElodie Laine, Isaure Chauvot de Beauchêne, David Perahia, Christian Auclair, Luba Tchertanov. ploscb, 7(6), 2011. [doi]

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