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The Journal of Chemical Physics
|
July 2, 2018
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics
Christoph Wehmeyer, Frank Noé
Journal of Chemical Theory and Computation
|
November 21, 2015
A Coupled Molecular Dynamics/Kinetic Monte Carlo Approach for Protonation Dynamics in Extended Systems
Gabriel Kabbe, Christoph Wehmeyer, Daniel Sebastiani
Proceedings of the National Academy of Sciences of the United States of America
|
May 27, 2016
Multiensemble Markov models of molecular thermodynamics and kinetics
Hao Wu, Fabian Paul, Christoph Wehmeyer, et al.
The Journal of Chemical Physics
|
November 28, 2012
Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry
Christoph Wehmeyer, Guido Falk von Rudorff, Sebastian Wolf, et al.
ACS Central Science
|
May 30, 2019
Machine Learning of Coarse-Grained Molecular Dynamics Force Fields
Jiang Wang, Simon Olsson, Christoph Wehmeyer, et al.
Nature Communications
|
November 10, 2016
MHC class II complexes sample intermediate states along the peptide exchange pathway
Marek Wieczorek, Jana Sticht, Sebastian Stolzenberg, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models
Martin K Scherer, Benjamin Trendelkamp-Schroer, Fabian Paul, et al.
Nature Communications
|
October 25, 2017
Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations
Fabian Paul, Christoph Wehmeyer, Esam T Abualrous, et al.
Nature Communications
|
March 11, 2018
Author Correction: Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations
Fabian Paul, Christoph Wehmeyer, Esam T Abualrous, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
July 2, 2018
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics
Christoph Wehmeyer, Frank Noé
Journal of Chemical Theory and Computation
|
November 21, 2015
A Coupled Molecular Dynamics/Kinetic Monte Carlo Approach for Protonation Dynamics in Extended Systems
Gabriel Kabbe, Christoph Wehmeyer, Daniel Sebastiani
Proceedings of the National Academy of Sciences of the United States of America
|
May 27, 2016
Multiensemble Markov models of molecular thermodynamics and kinetics
Hao Wu, Fabian Paul, Christoph Wehmeyer, et al.
The Journal of Chemical Physics
|
November 28, 2012
Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry
Christoph Wehmeyer, Guido Falk von Rudorff, Sebastian Wolf, et al.
ACS Central Science
|
May 30, 2019
Machine Learning of Coarse-Grained Molecular Dynamics Force Fields
Jiang Wang, Simon Olsson, Christoph Wehmeyer, et al.
Nature Communications
|
November 10, 2016
MHC class II complexes sample intermediate states along the peptide exchange pathway
Marek Wieczorek, Jana Sticht, Sebastian Stolzenberg, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models
Martin K Scherer, Benjamin Trendelkamp-Schroer, Fabian Paul, et al.
Nature Communications
|
October 25, 2017
Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations
Fabian Paul, Christoph Wehmeyer, Esam T Abualrous, et al.
Nature Communications
|
March 11, 2018
Author Correction: Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations
Fabian Paul, Christoph Wehmeyer, Esam T Abualrous, et al.
Page
of 1