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Journal of Computer-Aided Molecular Design
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October 13, 2022
An overview of the SAMPL8 host-guest binding challenge
Martin Amezcua, Jeffry Setiadi, Yunhui Ge, et al.
Journal of Chemical Information and Modeling
|
April 27, 2021
Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2
Yunhui Ge, Si Zhang, Mate Erdelyi, et al.
Journal of Chemical Theory and Computation
|
January 10, 2020
Reconciling Simulated Ensembles of Apomyoglobin with Experimental Hydrogen/Deuterium Exchange Data Using Bayesian Inference and Multiensemble Markov State Models
Hongbin Wan, Yunhui Ge, Asghar Razavi, et al.
Journal of Chemical Theory and Computation
|
June 2, 2025
Model Selection Using Replica Averaging with Bayesian Inference of Conformational Populations
Robert M Raddi, Tim Marshall, Yunhui Ge, et al.
Journal of Chemical Information and Modeling
|
June 15, 2017
Computational and Experimental Evaluation of Designed β-Cap Hairpins Using Molecular Simulations and Kinetic Network Models
Yunhui Ge, Brandon L Kier, Niels H Andersen, et al.
The Journal of Physical Chemistry. B
|
June 21, 2024
Exploring the Application of SiteMap and Site Finder for Focused Cryptic Pocket Identification
Yunhui Ge, Vineet Pande, Mark J Seierstad, et al.
Journal of Computer-Aided Molecular Design
|
October 5, 2022
Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo
Yunhui Ge, Oliver J Melling, Weiming Dong, et al.
Journal of Chemical Theory and Computation
|
December 9, 2024
Leveraging a Separation of States Method for Relative Binding Free Energy Calculations in Systems with Trapped Waters
Swapnil Wagle, Pascal T Merz, Yunhui Ge, et al.
Journal of Chemical Theory and Computation
|
January 24, 2023
Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo
Oliver J Melling, Marley L Samways, Yunhui Ge, et al.
The Journal of Physical Chemistry. B
|
January 30, 2019
Exposing the Nucleation Site in α-Helix Folding: A Joint Experimental and Simulation Study
Arusha Acharyya, Yunhui Ge, Haifan Wu, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 34) with videos related to
Sort By:
Page
of 4
Journal of Computer-Aided Molecular Design
|
October 13, 2022
An overview of the SAMPL8 host-guest binding challenge
Martin Amezcua, Jeffry Setiadi, Yunhui Ge, et al.
Journal of Chemical Information and Modeling
|
April 27, 2021
Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2
Yunhui Ge, Si Zhang, Mate Erdelyi, et al.
Journal of Chemical Theory and Computation
|
January 10, 2020
Reconciling Simulated Ensembles of Apomyoglobin with Experimental Hydrogen/Deuterium Exchange Data Using Bayesian Inference and Multiensemble Markov State Models
Hongbin Wan, Yunhui Ge, Asghar Razavi, et al.
Journal of Chemical Theory and Computation
|
June 2, 2025
Model Selection Using Replica Averaging with Bayesian Inference of Conformational Populations
Robert M Raddi, Tim Marshall, Yunhui Ge, et al.
Journal of Chemical Information and Modeling
|
June 15, 2017
Computational and Experimental Evaluation of Designed β-Cap Hairpins Using Molecular Simulations and Kinetic Network Models
Yunhui Ge, Brandon L Kier, Niels H Andersen, et al.
The Journal of Physical Chemistry. B
|
June 21, 2024
Exploring the Application of SiteMap and Site Finder for Focused Cryptic Pocket Identification
Yunhui Ge, Vineet Pande, Mark J Seierstad, et al.
Journal of Computer-Aided Molecular Design
|
October 5, 2022
Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo
Yunhui Ge, Oliver J Melling, Weiming Dong, et al.
Journal of Chemical Theory and Computation
|
December 9, 2024
Leveraging a Separation of States Method for Relative Binding Free Energy Calculations in Systems with Trapped Waters
Swapnil Wagle, Pascal T Merz, Yunhui Ge, et al.
Journal of Chemical Theory and Computation
|
January 24, 2023
Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo
Oliver J Melling, Marley L Samways, Yunhui Ge, et al.
The Journal of Physical Chemistry. B
|
January 30, 2019
Exposing the Nucleation Site in α-Helix Folding: A Joint Experimental and Simulation Study
Arusha Acharyya, Yunhui Ge, Haifan Wu, et al.
Page
of 4