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Thorben Fröhlking

Showing results (1-10 of 13) with videos related to

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The Journal of Chemical Physics|June 5, 2023
Simultaneous refinement of molecular dynamics ensembles and forward models using experimental dataThorben Fröhlking, Mattia Bernetti, Giovanni Bussi
The Journal of Physical Chemistry Letters|January 25, 2024
Boosting Ensemble Refinement with Transferable Force-Field Corrections: Synergistic Optimization for Molecular SimulationsIvan Gilardoni, Thorben Fröhlking, Giovanni Bussi
Nature Computational Science|July 22, 2025
Learning committor-consistent collective variablesThorben Fröhlking, Simone Aureli, Francesco Luigi Gervasio
The Journal of Chemical Physics|June 24, 2020
Toward empirical force fields that match experimental observablesThorben Fröhlking, Mattia Bernetti, Nicola Calonaci, et al.
ACS Central Science|August 29, 2022
Molecular Simulations Matching Denaturation Experiments for N<sup>6</sup>-MethyladenosineValerio Piomponi, Thorben Fröhlking, Mattia Bernetti, et al.
The Journal of Chemical Physics|May 15, 2025
MDRefine: A Python package for refining molecular dynamics trajectories with experimental dataIvan Gilardoni, Valerio Piomponi, Thorben Fröhlking, et al.
The Journal of Chemical Physics|September 16, 2024
DeepLNE++ leveraging knowledge distillation for accelerated multi-state path-like collective variablesThorben Fröhlking, Valerio Rizzi, Simone Aureli, et al.
The Journal of Chemical Physics|May 15, 2024
Deep learning path-like collective variable for enhanced sampling molecular dynamicsThorben Fröhlking, Luigi Bonati, Valerio Rizzi, et al.
Science Advances|April 22, 2026
CryptoBank: A resource for the identification and prediction of cryptic sites in proteinsPedro Febrer Martinez, Thorben Fröhlking, Alberto Borsatto, et al.
The Journal of Physical Chemistry Letters|March 3, 2026
A Transferable and Robust Computational Framework for Class A GPCR Activation Free EnergiesSimone Aureli, Nicola Piasentin, Thorben Fröhlking, et al.
Pageof 2

Showing results (1-10 of 13) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|June 5, 2023
Simultaneous refinement of molecular dynamics ensembles and forward models using experimental dataThorben Fröhlking, Mattia Bernetti, Giovanni Bussi
The Journal of Physical Chemistry Letters|January 25, 2024
Boosting Ensemble Refinement with Transferable Force-Field Corrections: Synergistic Optimization for Molecular SimulationsIvan Gilardoni, Thorben Fröhlking, Giovanni Bussi
Nature Computational Science|July 22, 2025
Learning committor-consistent collective variablesThorben Fröhlking, Simone Aureli, Francesco Luigi Gervasio
The Journal of Chemical Physics|June 24, 2020
Toward empirical force fields that match experimental observablesThorben Fröhlking, Mattia Bernetti, Nicola Calonaci, et al.
ACS Central Science|August 29, 2022
Molecular Simulations Matching Denaturation Experiments for N<sup>6</sup>-MethyladenosineValerio Piomponi, Thorben Fröhlking, Mattia Bernetti, et al.
The Journal of Chemical Physics|May 15, 2025
MDRefine: A Python package for refining molecular dynamics trajectories with experimental dataIvan Gilardoni, Valerio Piomponi, Thorben Fröhlking, et al.
The Journal of Chemical Physics|September 16, 2024
DeepLNE++ leveraging knowledge distillation for accelerated multi-state path-like collective variablesThorben Fröhlking, Valerio Rizzi, Simone Aureli, et al.
The Journal of Chemical Physics|May 15, 2024
Deep learning path-like collective variable for enhanced sampling molecular dynamicsThorben Fröhlking, Luigi Bonati, Valerio Rizzi, et al.
Science Advances|April 22, 2026
CryptoBank: A resource for the identification and prediction of cryptic sites in proteinsPedro Febrer Martinez, Thorben Fröhlking, Alberto Borsatto, et al.
The Journal of Physical Chemistry Letters|March 3, 2026
A Transferable and Robust Computational Framework for Class A GPCR Activation Free EnergiesSimone Aureli, Nicola Piasentin, Thorben Fröhlking, et al.
Pageof 2