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Journal of Chemical Information and Modeling|March 27, 2024
Binding Sites of Bicarbonate in Phosphoenolpyruvate CarboxylaseNicolas ChéronJournal of Computational Chemistry|June 2, 2017
Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculationsNicolas Chéron, Eugene I ShakhnovichPhysical Chemistry Chemical Physics : PCCP|April 12, 2012
A qualitative failure of B3LYP for textbook organic reactionsNicolas Chéron, Denis Jacquemin, Paul Fleurat-LessardJournal of Medicinal Chemistry|September 11, 2015
OpenGrowth: An Automated and Rational Algorithm for Finding New Protein LigandsNicolas Chéron, Naveen Jasty, Eugene I ShakhnovichJournal of Chemical Information and Modeling|February 14, 2017
A Hybrid Knowledge-Based and Empirical Scoring Function for Protein-Ligand Interaction: SMoG2016Théau Debroise, Eugene I Shakhnovich, Nicolas ChéronThe Journal of Physical Chemistry. B|January 31, 2020
Protein Preferential Solvation in Water:Glycerol MixturesNicolas Chéron, Margaux Naepels, Eva Pluhařová, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|November 25, 2011
Evidences for the key role of hydrogen bonds in nucleophilic aromatic substitution reactionsNicolas Chéron, Laurent El Kaïm, Laurence Grimaud, et al.The Journal of Physical Chemistry. A|July 27, 2011
A density functional theory study of the Nef-isocyanide reaction: mechanism, influence of parameters and scopeNicolas Chéron, Laurent El Kaïm, Laurence Grimaud, et al.The Journal of Physical Chemistry. A|July 27, 2013
Substituent effects in Ugi-smiles reactionsNicolas Chéron, Romain Ramozzi, Laurent El Kaïm, et al.The Journal of Organic Chemistry|January 10, 2012
Challenging 50 years of established views on Ugi reaction: a theoretical approachNicolas Chéron, Romain Ramozzi, Laurent El Kaïm, et al.Pageof 3