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Yunhui Ge

Affiliations: 
2014- Chemistry Temple University, Philadelphia, PA, United States 
Area:
Computational Chemistry
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"Yunhui Ge"
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Parents

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John Kuo research assistant 2012-2014 Xi'an Jiaotong-Liverpool University
Vincent A. Voelz grad student 2014-2020 Temple University
David Lowell Mobley post-doc 2020- UC Irvine

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Publications

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Zhang S, Ge Y, Voelz VA. (2024) Improved Estimates of Folding Stabilities and Kinetics with Multiensemble Markov Models. Biochemistry. 63: 3045-3056
Ge Y, Pande V, Seierstad MJ, et al. (2024) Exploring the Application of SiteMap and Site Finder for Focused Cryptic Pocket Identification. The Journal of Physical Chemistry. B. 128: 6233-6245
Raddi RM, Ge Y, Voelz VA. (2023) BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational Populations. Journal of Chemical Information and Modeling
Melling OJ, Samways ML, Ge Y, et al. (2023) Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo. Journal of Chemical Theory and Computation
Breznik M, Ge Y, Bluck JP, et al. (2022) Prioritizing small sets of molecules for synthesis through in-silico tools: A comparison of common ranking methods. Chemmedchem
Amezcua M, Setiadi J, Ge Y, et al. (2022) An overview of the SAMPL8 host-guest binding challenge. Journal of Computer-Aided Molecular Design
Ge Y, Melling OJ, Dong W, et al. (2022) Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo. Journal of Computer-Aided Molecular Design
Ge Y, Baumann HM, Mobley DL. (2022) Absolute Binding Free Energy Calculations for Buried Water Molecules. Journal of Chemical Theory and Computation
Ge Y, Voelz VA. (2022) Estimation of binding rates and affinities from multiensemble Markov models and ligand decoupling. The Journal of Chemical Physics. 156: 134115
Ge Y, Wych DC, Samways ML, et al. (2022) Enhancing Sampling of Water Rehydration on Ligand Binding: A Comparison of Techniques. Journal of Chemical Theory and Computation
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