Yunhui Ge

According to our database, Yunhui Ge authored at least 7 papers between 2017 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational Populations.

Robert M. Raddi, Yunhui Ge, Vincent A. Voelz

J. Chem. Inf. Model., April, 2023

2022

Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo.

Yunhui Ge, Oliver J. Melling, Weiming Dong, Jonathan W. Essex, David L. Mobley

J. Comput. Aided Mol. Des., 2022

An overview of the SAMPL8 host-guest binding challenge.

Martin Amezcua, Jeffry Setiadi, Yunhui Ge, David L. Mobley

J. Comput. Aided Mol. Des., 2022

2021

Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution.

Matthew F. D. Hurley, Justin D. Northrup, Yunhui Ge, Christian E. Schafmeister, Vincent A. Voelz

J. Chem. Inf. Model., 2021

Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2.

Yunhui Ge, Si Zhang, Mate Erdelyi, Vincent A. Voelz

J. Chem. Inf. Model., 2021

A Benchmark of Electrostatic Method Performance in Relative Binding Free Energy Calculations.

Yunhui Ge, David F. Hahn, David L. Mobley

J. Chem. Inf. Model., 2021

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, Vincent A. Voelz

J. Chem. Inf. Model., July, 2017