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Biochemical and Biophysical Research Communications|September 6, 2017
Efficient potential of mean force calculation from multiscale simulations: Solute insertion in a lipid membraneRoberto Menichetti, Kurt Kremer, Tristan BereauJournal of Chemical Theory and Computation|November 24, 2015
Leveraging Symmetries of Static Atomic Multipole Electrostatics in Molecular Dynamics SimulationsTristan Bereau, Christian Kramer, Markus MeuwlyBiophysical Journal|June 7, 2011
Structural basis of folding cooperativity in model proteins: insights from a microcanonical perspectiveTristan Bereau, Markus Deserno, Michael BachmannJournal of the American Chemical Society|September 9, 2010
Interplay between secondary and tertiary structure formation in protein folding cooperativityTristan Bereau, Michael Bachmann, Markus DesernoThe Journal of Physical Chemistry. B|January 14, 2015
Multipolar force fields and their effects on solvent dynamics around simple solutesSofie Jakobsen, Tristan Bereau, Markus MeuwlyThe Journal of Chemical Physics|July 24, 2014
Toward transferable interatomic van der Waals interactions without electrons: the role of multipole electrostatics and many-body dispersionTristan Bereau, O Anatole von LilienfeldACS Central Science|March 6, 2019
Drug-Membrane Permeability across Chemical SpaceRoberto Menichetti, Kiran H Kanekal, Tristan BereauThe Journal of Chemical Physics|March 25, 2014
More than the sum of its parts: coarse-grained peptide-lipid interactions from a simple cross-parametrizationTristan Bereau, Zun-Jing Wang, Markus DesernoThe Journal of Chemical Physics|January 17, 2019
Automated detection of many-particle solvation states for accurate characterizations of diffusion kineticsJoseph F Rudzinski, Marc Radu, Tristan BereauThe Journal of Chemical Physics|February 8, 2016
Communication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external informationJoseph F Rudzinski, Kurt Kremer, Tristan BereauPageof 7