Hénin, Jérôme

Using collective variables to drive molecular dynamics simulations

Fiorin, G., Klein, M. L., & Hénin, J. (2013) · Molecular Physics

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 1,053

Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory

Cournia, Z., Allen, T. W., Andricioaei, I., Antonny, B., Baum, D., Brannigan, G., Buchete, N.-V., Deckman, J. T., Delemotte, L., del Val, C., et al. (2015) · The Journal of Membrane Biology

Lipid Membrane Structure and BehaviorProtein Structure and Dynamics

Cited by 235

New Coarse Variables for the Accurate Determination of Standard Binding Free Energies

Fu, H., Cai, W., Hénin, J., Roux, B., & Chipot, C. (2017) · Journal of Chemical Theory and Computation

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 74

Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy

Mendes de Oliveira, D., Zukowski, S. R., Palivec, V., Hénin, J., Martinez-Seara, H., Ben-Amotz, D., Jungwirth, P., & Duboué-Dijon, E. (2020) · Physical Chemistry Chemical Physics

Spectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics Studies

Cited by 73

Building intuition for binding free energy calculations: Bound state definition, restraints, and symmetry

Duboué-Dijon, E., & Hénin, J. (2021) · The Journal of Chemical Physics

Computational Drug Discovery MethodsAdvanced Physical and Chemical Molecular Interactions

Cited by 46

Multiscale Computational Study of the Conformation of the Full-Length Intrinsically Disordered Protein MeCP2

Chávez-García, C., Hénin, J., & Karttunen, M. (2022) · Journal of Chemical Information and Modeling

Protein Structure and DynamicsGenetics and Neurodevelopmental Disorders

Cited by 8