Yunhui Ge

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 19

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

The journal of physical chemistry. B

The Journal of biological chemistry

Temple University (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Temple University Aug 08 2014 - May 08 2020

United States

PHD :: Chemistry

Xi'an Jiaotong-Liverpool University Sep 01 2010 - Jun 01 2014

China

BSC :: Applied Chemistry

Publications

Yunhui Ge, Vineet Pande, Mark J Seierstad, Kelly L Damm-Ganamet
Exploring the Application of SiteMap and Site Finder for Focused Cryptic Pocket Identification. The journal of physical chemistry. B 128 (26) (2024)
Yunhui Ge, Vineet Pande, Mark J Seierstad, Kelly L Damm-Ganamet
Exploring the Application of SiteMap and Site Finder for Focused Cryptic Pocket Identification. The journal of physical chemistry. B (2024)
Oliver J Melling, Marley L Samways, Yunhui Ge, David L Mobley, Jonathan W Essex
Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo. Journal of chemical theory and computation 19 (3) (2023)
Oliver J Melling, Marley L Samways, Yunhui Ge, David L Mobley, Jonathan W Essex
Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo. Journal of chemical theory and computation (2023)
Oliver J Melling, Marley L Samways, Yunhui Ge, David L Mobley, Jonathan W Essex
Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo. Journal of chemical theory and computation 19 (3) (2023)
Oliver J Melling, Marley L Samways, Yunhui Ge, David L Mobley, Jonathan W Essex
Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo. Journal of chemical theory and computation 19 (3) (2023)
Robert M Raddi, Yunhui Ge, Vincent A Voelz
BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational Populations. Journal of chemical information and modeling (2023)
Yunhui Ge, Hannah M Baumann, David L Mobley
Absolute Binding Free Energy Calculations for Buried Water Molecules. Journal of chemical theory and computation 18 (11) (2022)
Marko Breznik, Yunhui Ge, Joseph P Bluck, Hans Briem, David F Hahn, Clara D Christ, Jérémie Mortier, David L Mobley, Katharina Meier
Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods. ChemMedChem (2022)
Martin Amezcua, Jeffry Setiadi, Yunhui Ge, David L Mobley
An overview of the SAMPL8 host-guest binding challenge. Journal of computer-aided molecular design 36 (10) (2022)
Yunhui Ge, David C Wych, Marley L Samways, Michael E Wall, Jonathan W Essex, David L Mobley
Enhancing Sampling of Water Rehydration on Ligand Binding: A Comparison of Techniques. Journal of chemical theory and computation 18 (3) (2022)
Shanshan Y C Bradford, Léa El Khoury, Yunhui Ge, Meghan Osato, David L Mobley, Marcus Fischer
Temperature artifacts in protein structures bias ligand-binding predictions. Chemical science 12 (34) (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. Journal of chemical information and modeling 61 (6) (2021)
Yunhui Ge, David F Hahn, David L Mobley
A Benchmark of Electrostatic Method Performance in Relative Binding Free Energy Calculations. Journal of chemical information and modeling 61 (3) (2021)
Yunhui Ge, Si Zhang, Máté Erdélyi, Vincent A Voelz
Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2. Journal of chemical information and modeling 61 (5) (2021)
Hongbin Wan, Yunhui Ge, Asghar Razavi, Vincent A Voelz
Reconciling Simulated Ensembles of Apomyoglobin with Experimental Hydrogen/Deuterium Exchange Data Using Bayesian Inference and Multiensemble Markov State Models. Journal of chemical theory and computation 16 (2) (2020)
Yunhui Ge, Elias Borne, Shannon Stewart, Michael R Hansen, Emilia C Arturo, Eileen K Jaffe, Vincent A Voelz
Simulations of the regulatory ACT domain of human phenylalanine hydroxylase (PAH) unveil its mechanism of phenylalanine binding. The Journal of biological chemistry 293 (51) (2018)
Yunhui Ge, Vincent A Voelz
Model Selection Using BICePs: A Bayesian Approach for Force Field Validation and Parameterization. The journal of physical chemistry. B 122 (21) (2018)
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. Journal of chemical information and modeling 57 (7) (2017)

Yunhui Ge.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Yunhui Ge