Christoph Wehmeyer
Christoph Wehmeyer
Statice, Anonos
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Cited by
PyEMMA 2: A software package for estimation, validation, and analysis of Markov models
MK Scherer, B Trendelkamp-Schroer, F Paul, G Pérez-Hernández, ...
Journal of chemical theory and computation 11 (11), 5525-5542, 2015
Machine learning of coarse-grained molecular dynamics force fields
J Wang, S Olsson, C Wehmeyer, A Pérez, NE Charron, G De Fabritiis, ...
ACS central science 5 (5), 755-767, 2019
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics
C Wehmeyer, F Noé
The Journal of chemical physics 148 (24), 2018
Multiensemble Markov models of molecular thermodynamics and kinetics
H Wu, F Paul, C Wehmeyer, F Noé
Proceedings of the National Academy of Sciences 113 (23), E3221-E3230, 2016
Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations
F Paul, C Wehmeyer, ET Abualrous, H Wu, MD Crabtree, J Schöneberg, ...
Nature communications 8 (1), 1095, 2017
Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias
F Nüske, H Wu, JH Prinz, C Wehmeyer, C Clementi, F Noé
The Journal of Chemical Physics 146 (9), 2017
What Markov state models can and cannot do: Correlation versus path-based observables in protein-folding models
E Suárez, RP Wiewiora, C Wehmeyer, F Noé, JD Chodera, ...
Journal of chemical theory and computation 17 (5), 3119-3133, 2021
MHC class II complexes sample intermediate states along the peptide exchange pathway
M Wieczorek, J Sticht, S Stolzenberg, S Günther, C Wehmeyer, Z El Habre, ...
Nature Communications 7 (1), 13224, 2016
Artificial bee colony optimization of capping potentials for hybrid quantum mechanical/molecular mechanical calculations
C Schiffmann, D Sebastiani
Journal of Chemical Theory and Computation 7 (5), 1307-1315, 2011
Shock dynamics of two-lane driven lattice gases
C Schiffmann, C Appert-Rolland, L Santen
Journal of Statistical Mechanics: Theory and Experiment 2010 (06), P06002, 2010
Specific quantum mechanical/molecular mechanical capping-potentials for biomolecular functional groups
AC Ihrig, C Schiffmann, D Sebastiani
The Journal of chemical physics 135 (21), 2011
A coupled molecular dynamics/kinetic Monte Carlo approach for protonation dynamics in extended systems
G Kabbe, C Wehmeyer, D Sebastiani
Journal of Chemical Theory and Computation 10 (10), 4221-4228, 2014
A unified framework for quantifying privacy risk in synthetic data
M Giomi, F Boenisch, C Wehmeyer, B Tasnádi
arXiv preprint arXiv:2211.10459, 2022
The structure and IR signatures of the arginine-glutamate salt bridge. Insights from the classical MD simulations
MV Vener, AV Odinokov, C Wehmeyer, D Sebastiani
The Journal of chemical physics 142 (21), 2015
Water-Free Proton Conduction in Hexakis(p-Phosphonatophenyl)benzene Nanochannels
C Wehmeyer, M Schrader, D Andrienko, D Sebastiani
The Journal of Physical Chemistry C 117 (23), 12366-12372, 2013
Hydrogen bond networks: Structure and dynamics via first‐principles spectroscopy
C Schiffmann, D Sebastiani
physica status solidi (b) 249 (2), 368-375, 2012
Foraging on the potential energy surface: A swarm intelligence-based optimizer for molecular geometry
C Wehmeyer, G Falk von Rudorff, S Wolf, G Kabbe, D Schärf, TD Kühne, ...
The Journal of Chemical Physics 137 (19), 2012
Isotopic superlattices for perfect phonon reflection
G Bastian, A Vogelsang, C Schiffmann
Journal of electronic materials 39, 1769-1771, 2010
Efficient implementation and application of the artificial bee colony algorithm to low-dimensional optimization problems
GF von Rudorff, C Wehmeyer, D Sebastiani
Computer Physics Communications 185 (6), 1639-1646, 2014
Enhanced Synthetic Data and a Unified Framework for Quantifying Privacy Risk in Synthetic Data
MG LaFever, TN Myerson, M Little, C Pearson, M Bachan, M Giomi, ...
US Patent App. 18/334,167, 2023
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