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2020 – today
- 2024
[j7]Zakaria L. Dahmani, Ana Ligia Scott, Catherine Vénien-Bryan, David Perahia, Mauricio G. S. Costa
:
MDFF_NM: Improved Molecular Dynamics Flexible Fitting into Cryo-EM Density Maps with a Multireplica Normal Mode-Based Search. J. Chem. Inf. Model. 64(13): 5151-5160 (2024)- 2021
- [j6]Nohad Gresh, David Perahia:
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 chemistry. J. Comput. Chem. 42(20): 1430-1446 (2021) - 2020
- [j5]Mauricio G. S. Costa, Charline Fagnen, Catherine Vénien-Bryan, David Perahia:
A New Strategy for Atomic Flexible Fitting in Cryo-EM Maps by Molecular Dynamics with Excited Normal Modes (MDeNM-EMfit). J. Chem. Inf. Model. 60(5): 2419-2423 (2020)
2010 – 2019
- 2016
- [j4]Nohad Gresh, David Perahia, Benoit de Courcy, Johanna Foret, Celine Roux, Lea El-Khoury, Jean-Philip Piquemal, Laurent Salmon:
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 unknown. J. Comput. Chem. 37(32): 2770-2782 (2016) - 2014
- [j3]Nohad Gresh, Krystel El Hage, David Perahia, Jean-Philip Piquemal, Catherine Berthomieu, Dorothée Berthomieu:
Polarizable molecular mechanics studies of Cu(I)/Zn(II) superoxide dismutase: Bimetallic binding site and structured waters. J. Comput. Chem. 35(29): 2096-2106 (2014) - 2012
- [j2]Angélica Nakagawa Lima, Eric Allison Philot, David Perahia, Antonio Sérgio Kimus Braz, Luis P. B. Scott:
GANM: A protein-ligand docking approach based on genetic algorithm and normal modes. Appl. Math. Comput. 219(2): 511-520 (2012) - 2011
- [j1]Elodie Laine, Isaure Chauvot de Beauchêne, David Perahia, Christian Auclair, Luba Tchertanov:
Mutation D816V Alters the Internal Structure and Dynamics of c-KIT Receptor Cytoplasmic Region: Implications for Dimerization and Activation Mechanisms. PLoS Comput. Biol. 7(6) (2011)
Coauthor Index
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