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Bettina G Keller

Showing results (1-10 of 46) with videos related to

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Journal of Chemical Information and Modeling|June 13, 2024
Prebound State Discovered in the Unbinding Pathway of Fluorinated Variants of the Trypsin-BPTI Complex Using Random Acceleration Molecular Dynamics SimulationsLeon Wehrhan, Bettina G Keller
Journal of Chemical Theory and Computation|September 16, 2022
GROMACS Stochastic Dynamics and BAOAB Are Equivalent Configurational Sampling AlgorithmsStefanie Kieninger, Bettina G Keller
Journal of Chemical Theory and Computation|January 13, 2025
Toward Grid-Based Models for Molecular AssociationHana Zupan, Bettina G Keller
The Journal of Chemical Physics|November 3, 2016
Density-based cluster algorithms for the identification of core setsOliver Lemke, Bettina G Keller
The Journal of Chemical Physics|August 24, 2018
Girsanov reweighting for metadynamics simulationsLuca Donati, Bettina G Keller
Current Opinion in Structural Biology|December 16, 2019
Allostery in C-type lectinsBettina G Keller, Christoph Rademacher
Journal of Computational Chemistry|February 28, 2024
Thermal isomerization rates in retinal analogues using Ab-Initio molecular dynamicsSimon Ghysbrecht, Bettina G Keller
The Journal of Physical Chemistry. B|June 17, 2024
Fluorinated Protein-Ligand Complexes: A Computational PerspectiveLeon Wehrhan, Bettina G Keller
Annual Review of Physical Chemistry|June 28, 2024
Dynamical Reweighting for Biased Rare Event SimulationsBettina G Keller, Peter G Bolhuis
The Journal of Physical Chemistry. B|June 12, 2024
Implementation of Girsanov Reweighting in OpenMM and DeeptimeJoana-Lysiane Schäfer, Bettina G Keller
Pageof 5

Showing results (1-10 of 46) with videos related to

Sort By:
Pageof 5
Journal of Chemical Information and Modeling|June 13, 2024
Prebound State Discovered in the Unbinding Pathway of Fluorinated Variants of the Trypsin-BPTI Complex Using Random Acceleration Molecular Dynamics SimulationsLeon Wehrhan, Bettina G Keller
Journal of Chemical Theory and Computation|September 16, 2022
GROMACS Stochastic Dynamics and BAOAB Are Equivalent Configurational Sampling AlgorithmsStefanie Kieninger, Bettina G Keller
Journal of Chemical Theory and Computation|January 13, 2025
Toward Grid-Based Models for Molecular AssociationHana Zupan, Bettina G Keller
The Journal of Chemical Physics|November 3, 2016
Density-based cluster algorithms for the identification of core setsOliver Lemke, Bettina G Keller
The Journal of Chemical Physics|August 24, 2018
Girsanov reweighting for metadynamics simulationsLuca Donati, Bettina G Keller
Current Opinion in Structural Biology|December 16, 2019
Allostery in C-type lectinsBettina G Keller, Christoph Rademacher
Journal of Computational Chemistry|February 28, 2024
Thermal isomerization rates in retinal analogues using Ab-Initio molecular dynamicsSimon Ghysbrecht, Bettina G Keller
The Journal of Physical Chemistry. B|June 17, 2024
Fluorinated Protein-Ligand Complexes: A Computational PerspectiveLeon Wehrhan, Bettina G Keller
Annual Review of Physical Chemistry|June 28, 2024
Dynamical Reweighting for Biased Rare Event SimulationsBettina G Keller, Peter G Bolhuis
The Journal of Physical Chemistry. B|June 12, 2024
Implementation of Girsanov Reweighting in OpenMM and DeeptimeJoana-Lysiane Schäfer, Bettina G Keller
Pageof 5