Yunhui Ge

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 7

Top Topics

Experimental Evaluation

Monte Carlo Methods

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Robert M. Raddi, Yunhui Ge, Vincent A. Voelz
BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational Populations. J. Chem. Inf. Model. 63 (8) (2023)
Martin Amezcua, Jeffry Setiadi, Yunhui Ge, David L. Mobley
An overview of the SAMPL8 host-guest binding challenge. J. Comput. Aided Mol. Des. 36 (10) (2022)
Yunhui Ge, Oliver J. Melling, Weiming Dong, Jonathan W. Essex, David L. Mobley
Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo. J. Comput. Aided Mol. Des. 36 (10) (2022)
Yunhui Ge, Si Zhang, Mate Erdelyi, Vincent A. Voelz
Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2. J. Chem. Inf. Model. 61 (5) (2021)
Yunhui Ge, David F. Hahn, David L. Mobley
A Benchmark of Electrostatic Method Performance in Relative Binding Free Energy Calculations. J. Chem. Inf. Model. 61 (3) (2021)
Matthew F. D. Hurley, Justin D. Northrup, Yunhui Ge, Christian E. Schafmeister, Vincent A. Voelz
Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution. J. Chem. Inf. Model. 61 (6) (2021)
Yunhui Ge, Brandon L. Kier, Niels H. Andersen, Vincent A. Voelz
Computational and Experimental Evaluation of Designed β-Cap Hairpins Using Molecular Simulations and Kinetic Network Models. J. Chem. Inf. Model. 57 (7) (2017)