Lucie Delemotte

Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0]

Jérôme Hénin, Tony Lelièvre, Michael R. Shirts et al. · Living Journal of Computational Molecular Science · 2022 · 297 citations · Full text

Engineering, Physics, Enhanced Sampling +14

Molecular Dynamics Simulations of Lipid Membrane Electroporation

Lucie Delemotte, Mounir Tarek · The Journal of Membrane Biology · 2012 · 185 citations

Membrane Structure, Membrane Formation, Biochemistry +4

Intermediate states of the Kv1.2 voltage sensor from atomistic molecular dynamics simulations

Lucie Delemotte, Mounir Tarek, Michael L. Klein et al. · Proceedings of the National Academy of Sciences · 2011 · 178 citations · Full text

Local Electric Field, Proteinlipid Interaction, Engineering +21

Understanding TRPV1 activation by ligands: Insights from the binding modes of capsaicin and resiniferatoxin

Khaled M. Elokely, Phanindra Velisetty, Lucie Delemotte et al. · Proceedings of the National Academy of Sciences · 2015 · 162 citations · Full text

Signal Transduction, Biochemistry, G Protein-coupled Receptor +15

Molecular Insights from Conformational Ensembles via Machine Learning

Oliver Fleetwood, Marina A. Kasimova, Annie M. Westerlund et al. · Biophysical Journal · 2019 · 97 citations · Full text