Publikationen von Tristan Bereau
Alle Typen
Zeitschriftenartikel (61)
21.
Zeitschriftenartikel
118 (6), S. 1321 - 1332 (2020)
Inserting Small Molecules across Membrane Mixtures: Insight from the Potential of Mean Force. Biophysical Journal 22.
Zeitschriftenartikel
7 (1), 51 (2020)
Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations. Scientific Data 23.
Zeitschriftenartikel
124 (5), S. 742 - 750 (2020)
Probing Nanoparticle/Membrane Interactions by Combining Amphiphilic Diblock Copolymer Assembly and Plasmonics. The Journal of Physical Chemistry B 24.
Zeitschriftenartikel
119 (5), S. 892 - 899 (2020)
Regulating Lipid Composition Rationalizes Acyl Tail Saturation Homeostasis in Ectotherms. Biophysical Journal 25.
Zeitschriftenartikel
16 (42), S. 9683 - 9692 (2020)
Free-energy landscape of polymer-crystal polymorphism. Soft Matter 26.
Zeitschriftenartikel
153 (21), 0031249 (2020)
Coarse-grained conformational surface hopping: Methodology and transferability. The Journal of Chemical Physics 27.
Zeitschriftenartikel
16 (5), S. 3194 - 3204 (2020)
Kernel-Based Machine Learning for Efficient Simulations of Molecular Liquids. Journal of Chemical Theory and Computation 28.
Zeitschriftenartikel
100 (6), 060103 (2019)
Microscopic reweighting for nonequilibrium steady-state dynamics. Physical Review E 29.
Zeitschriftenartikel
151 (16), 164106 (2019)
Resolution limit of data-driven coarse-grained models spanning chemical space. The Journal of Chemical Physics 30.
Zeitschriftenartikel
117 (20), S. 2900 - 2909 (2019)
Revisiting the Meyer-Overton rule for drug-membrane permeabilities. Molecular Physics 31.
Zeitschriftenartikel
167, S. 25 - 33 (2019)
Hoobas: A highly object-oriented builder for molecular dynamics. Computational Materials Science 32.
Zeitschriftenartikel
100 (3), 033302 (2019)
Controlled exploration of chemical space by machine learning of coarse-grained representations. Physical Review E 33.
Zeitschriftenartikel
5 (2), S. 290 - 298 (2019)
Drug-Membrane Permeability across Chemical Space. ACS Central Science 34.
Zeitschriftenartikel
150 (2), 024102 (2019)
Automated detection of many-particle solvation states for accurate characterizations of diffusion kinetics. The Journal of Chemical Physics 35.
Zeitschriftenartikel
: Sequence-Optimized Peptide Nanofibers as Growth Stimulators for Regeneration of Peripheral Neurons. Advanced Functional Materials 29 (24), 1809112 (2019)
36.
Zeitschriftenartikel
151 (24), 244110 (2019)
Direct route to reproducing pair distribution functions with coarse-grained models via transformed atomistic cross correlations. The Journal of Chemical Physics 37.
Zeitschriftenartikel
148 (24), 241706 (2018)
Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning. The Journal of Chemical Physics 38.
Zeitschriftenartikel
121 (25), 256002 (2018)
Accurate Structure-Based Coarse Graining Leads to Consistent Barrier-Crossing Dynamics. Physical Review Letters 39.
Zeitschriftenartikel
1 (7), 1800024 (2018)
Polymorphism of Syndiotactic Polystyrene Crystals from Multiscale Simulations. Advanced theory and simulations 40.
Zeitschriftenartikel
498 (2), S. 282 - 287 (2018)
Efficient potential of mean force calculation from multiscale simulations: Solute insertion in a lipid membrane. Biochemical and Biophysical Research Communications