Tristan Bereau
TitleCited byYear
Generic coarse-grained model for protein folding and aggregation
T Bereau, M Deserno
The Journal of chemical physics 130 (23), 06B621, 2009
1592009
Automated parametrization of the coarse-grained Martini force field for small organic molecules
T Bereau, K Kremer
Journal of chemical theory and computation 11 (6), 2783-2791, 2015
522015
Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning
T Bereau, RA DiStasio Jr, A Tkatchenko, OA Von Lilienfeld
The Journal of chemical physics 148 (24), 241706, 2018
422018
Interplay between secondary and tertiary structure formation in protein folding cooperativity
T Bereau, M Bachmann, M Deserno
Journal of the American Chemical Society 132 (38), 13129-13131, 2010
412010
Optimized convergence for multiple histogram analysis
T Bereau, RH Swendsen
Journal of Computational Physics 228 (17), 6119-6129, 2009
412009
Leveraging symmetries of static atomic multipole electrostatics in molecular dynamics simulations
T Bereau, C Kramer, M Meuwly
Journal of chemical theory and computation 9 (12), 5450-5459, 2013
382013
Transferable atomic multipole machine learning models for small organic molecules
T Bereau, D Andrienko, OA von Lilienfeld
Journal of Chemical Theory and Computation 11 (7), 3225-3233, 2015
362015
More than the sum of its parts: Coarse-grained peptide-lipid interactions from a simple cross-parametrization
T Bereau, ZJ Wang, M Deserno
The Journal of chemical physics 140 (11), 03B615_1-11220, 2014
352014
Structural Basis of Folding Cooperativity in Model Proteins: Insights from a Microcanonical Perspective
T Bereau, M Deserno, M Bachmann
Biophysical Journal 100 (11), 2764-2772, 2011
312011
Deriving static atomic multipoles from the electrostatic potential
C Kramer, T Bereau, A Spinn, KR Liedl, P Gedeck, M Meuwly
Journal of chemical information and modeling 53 (12), 3410-3417, 2013
242013
In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force
R Menichetti, KH Kanekal, K Kremer, T Bereau
The Journal of Chemical Physics 147 (12), 125101, 2017
232017
Communication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external information
JF Rudzinski, K Kremer, T Bereau
The Journal of chemical physics 144 (5), 051102, 2016
232016
Folding and insertion thermodynamics of the transmembrane WALP peptide
T Bereau, WFD Bennett, J Pfaendtner, M Deserno, M Karttunen
The Journal of chemical physics 143 (24), 243127, 2015
232015
Research Update: Computational materials discovery in soft matter
T Bereau, D Andrienko, K Kremer
APL Materials 4 (5), 053101, 2016
192016
Computational two-dimensional infrared spectroscopy without maps: N-methylacetamide in water
PA Cazade, T Bereau, M Meuwly
The Journal of Physical Chemistry B 118 (28), 8135-8147, 2014
192014
Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion
T Bereau, OA von Lilienfeld
The Journal of chemical physics 141 (3), 034101, 2014
172014
Scoring multipole electrostatics in condensed-phase atomistic simulations
T Bereau, C Kramer, FW Monnard, ES Nogueira, TR Ward, M Meuwly
The Journal of Physical Chemistry B 117 (18), 5460-5471, 2013
172013
Coarse-Grained and Atomistic Simulations of the Salt-Stable Cowpea Chlorotic Mottle Virus (SS-CCMV) Subunit 26–49: β-Barrel Stability of the Hexamer and Pentamer Geometries
T Bereau, C Globisch, M Deserno, C Peter
Journal of Chemical Theory and Computation 8 (10), 3750-3758, 2012
172012
Impact of quadrupolar electrostatics on atoms adjacent to the sigma-hole in condensed-phase simulations
K El Hage, T Bereau, S Jakobsen, M Meuwly
Journal of chemical theory and computation 12 (7), 3008-3019, 2016
152016
Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields
JF Rudzinski, T Bereau
The European Physical Journal Special Topics 225 (8-9), 1373-1389, 2016
122016
The system can't perform the operation now. Try again later.
Articles 1–20