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Yunhui Ge

Showing results (1-10 of 34) with videos related to

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Future Medicinal Chemistry|February 8, 2025
How does machine learning augment alchemical binding free energy calculations?Ingo Muegge, Yunhui Ge
Methods in Molecular Biology (Clifton, N.J.)|March 24, 2021
Markov State Models to Elucidate Ligand Binding MechanismYunhui Ge, Vincent A Voelz
The Journal of Physical Chemistry. B|March 9, 2018
Model Selection Using BICePs: A Bayesian Approach for Force Field Validation and ParameterizationYunhui Ge, Vincent A Voelz
The Journal of Chemical Physics|April 9, 2022
Estimation of binding rates and affinities from multiensemble Markov models and ligand decouplingYunhui Ge, Vincent A Voelz
Expert Opinion on Drug Discovery|August 12, 2024
Perspectives on current approaches to virtual screening in drug discoveryIngo Muegge, Jörg Bentzien, Yunhui Ge
Biochemistry|November 7, 2024
Improved Estimates of Folding Stabilities and Kinetics with Multiensemble Markov ModelsSi Zhang, Yunhui Ge, Vincent A Voelz
Journal of Chemical Information and Modeling|March 9, 2021
A Benchmark of Electrostatic Method Performance in Relative Binding Free Energy CalculationsYunhui Ge, David F Hahn, David L Mobley
Journal of Chemical Information and Modeling|April 7, 2023
BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational PopulationsRobert M Raddi, Yunhui Ge, Vincent A Voelz
Journal of Chemical Theory and Computation|October 5, 2022
Absolute Binding Free Energy Calculations for Buried Water MoleculesYunhui Ge, Hannah M Baumann, David L Mobley
Frontiers in Molecular Biosciences|May 28, 2021
Reconciling Simulations and Experiments With BICePs: A ReviewVincent A Voelz, Yunhui Ge, Robert M Raddi
Pageof 4

Showing results (1-10 of 34) with videos related to

Sort By:
Pageof 4
Future Medicinal Chemistry|February 8, 2025
How does machine learning augment alchemical binding free energy calculations?Ingo Muegge, Yunhui Ge
Methods in Molecular Biology (Clifton, N.J.)|March 24, 2021
Markov State Models to Elucidate Ligand Binding MechanismYunhui Ge, Vincent A Voelz
The Journal of Physical Chemistry. B|March 9, 2018
Model Selection Using BICePs: A Bayesian Approach for Force Field Validation and ParameterizationYunhui Ge, Vincent A Voelz
The Journal of Chemical Physics|April 9, 2022
Estimation of binding rates and affinities from multiensemble Markov models and ligand decouplingYunhui Ge, Vincent A Voelz
Expert Opinion on Drug Discovery|August 12, 2024
Perspectives on current approaches to virtual screening in drug discoveryIngo Muegge, Jörg Bentzien, Yunhui Ge
Biochemistry|November 7, 2024
Improved Estimates of Folding Stabilities and Kinetics with Multiensemble Markov ModelsSi Zhang, Yunhui Ge, Vincent A Voelz
Journal of Chemical Information and Modeling|March 9, 2021
A Benchmark of Electrostatic Method Performance in Relative Binding Free Energy CalculationsYunhui Ge, David F Hahn, David L Mobley
Journal of Chemical Information and Modeling|April 7, 2023
BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational PopulationsRobert M Raddi, Yunhui Ge, Vincent A Voelz
Journal of Chemical Theory and Computation|October 5, 2022
Absolute Binding Free Energy Calculations for Buried Water MoleculesYunhui Ge, Hannah M Baumann, David L Mobley
Frontiers in Molecular Biosciences|May 28, 2021
Reconciling Simulations and Experiments With BICePs: A ReviewVincent A Voelz, Yunhui Ge, Robert M Raddi
Pageof 4