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, Institut Polytechnique de Paris, 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
James C. GumbartGeorgia TechVerified email at physics.gatech.edu
Jeffrey ComerKansas State UniversityVerified email at ksu.edu
David LeBardHead of Enhanced Sampling, OpenEye Scientific Software Inc.Verified email at eyesopen.com
Wataru ShinodaOkayama UniversityVerified email at okayama-u.ac.jp
Jeffery B. KlaudaProfessor of Chemical Engineering, University of MarylandVerified email at umd.edu
Marc BaadenPrincipal Investigator at CNRSVerified email at ibpc.fr
Mounir TarekCNRS- Université de Lorraine, Nancy FranceVerified email at univ-lorraine.fr

Jérôme Hénin

CNRS, IBPC, LBT

Verified email at cnrs.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), 2020	2288	2020
Using collective variables to drive molecular dynamics simulations G Fiorin, ML Klein, J Hénin Molecular Physics 111 (22-23), 3345-3362, 2013	971	2013
Overcoming free energy barriers using unconstrained molecular dynamics simulations J Hénin, C Chipot The Journal of chemical physics 121 (7), 2904-2914, 2004	553	2004
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	499	2015
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	457	2009
Enhanced sampling methods for molecular dynamics simulations J Hénin, T Lelièvre, MR Shirts, O Valsson, L Delemotte Living Journal of Computational Molecular Science 4 (1), 1583, 2022	253	2022
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	249	2015
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	197	2014
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	187	2008
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	170	2005
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	145	2014
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	143	2010
Exploring the free-energy landscape of a short peptide using an average force C Chipot, J Hénin The Journal of chemical physics 123 (24), 2005	142	2005
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	138	2017
Diffusion of Glycerol through Escherichia coli Aquaglyceroporin GlpF J Hénin, E Tajkhorshid, K Schulten, C Chipot Biophysical Journal 94 (3), 832-839, 2008	128	2008
Evolution of pentameric ligand-gated ion channels: Pro-loop receptors M Jaiteh, A Taly, J Hénin PloS one 11 (3), e0151934, 2016	125	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	102	2008
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	95	2014
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	95	2010
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	85	2014

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