Jérôme Hénin

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Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-ChampaignVerified email at Univ-Lorraine.fr
Michael L KleinTemple UniversityVerified email at temple.edu
Grace BranniganRutgers UniversityVerified email at rutgers.edu
Giacomo FiorinStaff scientist, National Institutes of HealthVerified email at nih.gov
Klaus SchultenProfessor of Physics, University of Illinois at Urbana-ChampaignVerified email at ks.uiuc.edu
Emad Tajkhorshid, PhDProfessor of Biochemistry and Biophysics, University of IllinoisVerified email at illinois.edu
Benoit RouxProfessor of Biochemistry, The university of ChicagoVerified email at uchicago.edu
LELIEVRE, TONYProfessor of Applied Mathematics, Ecole des Ponts ParisTech and INRIAVerified email at cermics.enpc.fr
James C PhillipsSenior Research Programmer, National Center for Supercomputing Applications, University of IllinoisVerified email at illinois.edu
Laxmikant KaleProfessor or Computer Science, University of IllinoisVerified email at illinois.edu
Zaida (Zan) Luthey-SchultenUniversity of Illinois at Urbana-ChampaignVerified email at illinois.edu
Antoine TalyCNRSVerified email at ibpc.fr
Reza SalariPostdoctoral Researcher, Rutgers UniversityVerified email at rutgers.edu
David LeBardHead of Enhanced Sampling, OpenEye Scientific Software Inc.Verified email at eyesopen.com
James C. GumbartGeorgia TechVerified email at physics.gatech.edu
Jeffrey ComerKansas State UniversityVerified email at ksu.edu
Wataru ShinodaOkayama UniversityVerified email at okayama-u.ac.jp
Jeffery B. KlaudaProfessor of Chemical Engineering, University of MarylandVerified email at umd.edu
Mounir TarekCNRS- Université de Lorraine, Nancy FranceVerified email at univ-lorraine.fr
Marc BaadenPrincipal Investigator at CNRSVerified email at ibpc.fr

Jérôme Hénin

CNRS, IBPC

Verified email at ibpc.fr - Homepage

computational biophysics


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Scalable molecular dynamics on CPU and GPU architectures with NAMD JC Phillips, DJ Hardy, JDC Maia, JE Stone, JV Ribeiro, RC Bernardi, ... The Journal of chemical physics 153 (4), 044130, 2020	1103	2020
Using collective variables to drive molecular dynamics simulations G Fiorin, ML Klein, J Hénin Molecular Physics 111 (22-23), 3345-3362, 2013	732	2013
Overcoming free energy barriers using unconstrained molecular dynamics simulations J Hénin, C Chipot The Journal of chemical physics 121 (7), 2904-2914, 2004	509	2004
Exploring multidimensional free energy landscapes using time-dependent biases on collective variables J Hénin, G Fiorin, C Chipot, ML Klein Journal of Chemical Theory and Computation 6 (1), 35-47, 2009	413	2009
The adaptive biasing force method: Everything you always wanted to know but were afraid to ask J Comer, JC Gumbart, J Hénin, T Lelièvre, A Pohorille, C Chipot The Journal of Physical Chemistry B 119 (3), 1129-1151, 2015	388	2015
Embedded cholesterol in the nicotinic acetylcholine receptor G Brannigan, J Hénin, R Law, R Eckenhoff, ML Klein Proceedings of the National Academy of Sciences 105 (38), 14418-14423, 2008	181	2008
Membrane protein structure, function, and dynamics: a perspective from experiments and theory Z Cournia, TW Allen, I Andricioaei, B Antonny, D Baum, G Brannigan, ... The Journal of membrane biology 248, 611-640, 2015	173	2015
Insights into the recognition and association of transmembrane α-helices. The free energy of α-helix dimerization in glycophorin A J Hénin, A Pohorille, C Chipot Journal of the American Chemical Society 127 (23), 8478-8484, 2005	160	2005
CHARMM36 united atom chain model for lipids and surfactants S Lee, A Tran, M Allsopp, JB Lim, J Hénin, JB Klauda The journal of physical chemistry B 118 (2), 547-556, 2014	154	2014
Type VI secretion and bacteriophage tail tubes share a common assembly pathway YR Brunet, J Hénin, H Celia, E Cascales EMBO reports 15 (3), 315-321, 2014	136	2014
Exploring the free-energy landscape of a short peptide using an average force C Chipot, J Hénin The Journal of chemical physics 123 (24), 244906, 2005	136	2005
Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain G Brannigan, DN LeBard, J Hénin, RG Eckenhoff, ML Klein Proceedings of the National Academy of Sciences 107 (32), 14122-14127, 2010	133	2010
Diffusion of Glycerol through Escherichia coli Aquaglyceroporin GlpF J Hénin, E Tajkhorshid, K Schulten, C Chipot Biophysical Journal 94 (3), 832-839, 2008	122	2008
Smoothed biasing forces yield unbiased free energies with the extended-system adaptive biasing force method A Lesage, T Lelièvre, G Stoltz, J Hénin The Journal of Physical Chemistry B 121 (15), 3676-3685, 2017	98	2017
Evolution of pentameric ligand-gated ion channels: Pro-loop receptors M Jaiteh, A Taly, J Hénin PloS one 11 (3), e0151934, 2016	98	2016
United-atom acyl chains for CHARMM phospholipids J Hénin, W Shinoda, ML Klein The Journal of Physical Chemistry B 112 (23), 7008-7015, 2008	92	2008
Single-spanning transmembrane domains in cell growth and cell-cell interactions: More than meets the eye? P Hubert, P Sawma, JP Duneau, J Khao, J Hénin, D Bagnard, J Sturgis Cell adhesion & migration 4 (2), 313-324, 2010	86	2010
A predicted binding site for cholesterol on the GABAA receptor J Hénin, R Salari, S Murlidaran, G Brannigan Biophysical journal 106 (9), 1938-1949, 2014	84	2014
Lipid concentration and molar ratio boundaries for the use of isotropic bicelles M Beaugrand, AA Arnold, J Hénin, DE Warschawski, PTF Williamson, ... Langmuir 30 (21), 6162-6170, 2014	70	2014
General anesthetics predicted to block the GLIC pore with micromolar affinity DN LeBard, J Hénin, RG Eckenhoff, ML Klein, G Brannigan PLoS computational biology 8 (5), e1002532, 2012	68	2012

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