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Journal of Computational Chemistry|February 28, 2024
Thermal isomerization rates in retinal analogues using Ab-Initio molecular dynamicsSimon Ghysbrecht, Bettina G KellerJournal of Computational Chemistry|December 11, 2024
Accuracy of Reaction Coordinate Based Rate Theories for Modelling Chemical Reactions: Insights From the Thermal Isomerization in RetinalSimon Ghysbrecht, Luca Donati, Bettina G KellerJournal 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 KellerThe Journal of Chemical Physics|November 3, 2016
Density-based cluster algorithms for the identification of core setsOliver Lemke, Bettina G KellerThe Journal of Chemical Physics|August 24, 2018
Girsanov reweighting for metadynamics simulationsLuca Donati, Bettina G KellerJournal of Chemical Theory and Computation|September 16, 2022
GROMACS Stochastic Dynamics and BAOAB Are Equivalent Configurational Sampling AlgorithmsStefanie Kieninger, Bettina G KellerJournal of Chemical Theory and Computation|January 13, 2025
Toward Grid-Based Models for Molecular AssociationHana Zupan, Bettina G KellerCurrent Opinion in Structural Biology|December 16, 2019
Allostery in C-type lectinsBettina G Keller, Christoph RademacherThe Journal of Physical Chemistry. B|June 17, 2024
Fluorinated Protein-Ligand Complexes: A Computational PerspectiveLeon Wehrhan, Bettina G KellerAnnual Review of Physical Chemistry|June 28, 2024
Dynamical Reweighting for Biased Rare Event SimulationsBettina G Keller, Peter G BolhuisPageof 5