Publikationen von Tristan Bereau
Alle Typen
Zeitschriftenartikel (61)
Zeitschriftenartikel
57 (39), S. 12626 - 12648 (2018)
Engineering Proteins at Interfaces: From Complementary Characterization to Material Surfaces with Designed Functions. Angewandte Chemie International Edition
Zeitschriftenartikel
6 (1), 21 (2018)
The Role of Conformational Entropy in the Determination of Structural-Kinetic Relationships for Helix-Coil Transitions. Computation
Zeitschriftenartikel
148 (20), 204111 (2018)
Structural-kinetic-thermodynamic relationships identified from physics-based molecular simulation models. The Journal of Chemical Physics
Zeitschriftenartikel
23 (40), S. 9690 - 9697 (2017)
Nitrated Fatty Acids Modulate the Physical Properties of Model Membranes and the Structure of Transmembrane Proteins. Chemistry – A European Journal
Zeitschriftenartikel
147 (12), 125101 (2017)
In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force. The Journal of Chemical Physics
Zeitschriftenartikel
4 (5), 053101 (2016)
Research Update: Computational materials discovery in soft matter. APL Materials
Zeitschriftenartikel
120 (26), S. 6391 - 6400 (2016)
Protein-Backbone Thermodynamics across the Membrane Interface. The Journal of Physical Chemistry B
Zeitschriftenartikel
12 (7), S. 3008 - 3019 (2016)
Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations. Journal of Chemical Theory and Computation
Zeitschriftenartikel
225 (8-9), S. 1373 - 1389 (2016)
Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields. European Physical Journal - Special Topics
Zeitschriftenartikel
144 (5), 051102 (2016)
Communication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external information. The Journal of Chemical Physics
Zeitschriftenartikel
659, S. 6 - 9 (2016)
An in-silico walker. Chemical Physics Letters
Zeitschriftenartikel
109 (4 ), S. 668 - 669 (2015)
Better Together: Lipopeptide Micelle Formation Enhances Antimicrobial Selectivity. Biophysical Journal
Zeitschriftenartikel
11 (7), S. 3225 - 3233 (2015)
Transferable Atomic Multipole Machine Learning Models for Small Organic Molecules. Journal of Chemical Theory and Computation
Zeitschriftenartikel
143 (24), 243127 (2015)
Folding and insertion thermodynamics of the transmembrane WALP peptide. The Journal of Chemical Physics
Zeitschriftenartikel
248 (3), S. 395 - 405 (2015)
Enhanced Sampling of Coarse-Grained Transmembrane-Peptide Structure Formation from Hydrogen-Bond Replica Exchange. Journal of Membrane Biology
Zeitschriftenartikel
11 (6), S. 2783 - 2791 (2015)
Automated Parametrization of the Coarse-Grained Martini Force Field for Small Organic Molecules. Journal of Chemical Theory and Computation
Zeitschriftenartikel
142 (21), 212415 (2015)
Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study. The Journal of Chemical Physics
Zeitschriftenartikel
119 (7), S. 3034 - 3045 (2015)
Multipolar force fields and their effects on solvent dynamics around simple solutes. The Journal of Physical Chemistry B
Zeitschriftenartikel
141 (3), 034101 (2014)
Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion. The Journal of Chemical Physics
Zeitschriftenartikel
140 (11), 115101 (2014)
More than the sum of its parts: Coarse-grained peptide-lipid interactions from a simple cross-parametrization. The Journal of Chemical Physics