Yunhui Ge - Publications

2014- Chemistry Temple University, Philadelphia, PA, United States 
Computational Chemistry

12 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Hurley MFD, Northrup JD, Ge Y, Schafmeister CE, Voelz VA. Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution. Journal of Chemical Information and Modeling. PMID 34125519 DOI: 10.1021/acs.jcim.1c00447  1
2021 Voelz VA, Ge Y, Raddi RM. Reconciling Simulations and Experiments With BICePs: A Review. Frontiers in Molecular Biosciences. 8: 661520. PMID 34046431 DOI: 10.3389/fmolb.2021.661520  1
2021 Ge Y, Zhang S, Erdelyi M, Voelz VA. Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2. Journal of Chemical Information and Modeling. PMID 33905247 DOI: 10.1021/acs.jcim.1c00029  1
2021 Ge Y, Voelz VA. Markov State Models to Elucidate Ligand Binding Mechanism. Methods in Molecular Biology (Clifton, N.J.). 2266: 239-259. PMID 33759131 DOI: 10.1007/978-1-0716-1209-5_14  1
2021 Ge Y, Hahn DF, Mobley DL. A Benchmark of Electrostatic Method Performance in Relative Binding Free Energy Calculations. Journal of Chemical Information and Modeling. PMID 33686853 DOI: 10.1021/acs.jcim.0c01424  0.44
2020 Wan H, Ge Y, Razavi A, Voelz VA. Reconciling simulated ensembles of apomyoglobin with experimental HDX data using Bayesian inference and multi-ensemble Markov State Models. Journal of Chemical Theory and Computation. PMID 31917926 DOI: 10.1021/Acs.Jctc.9B01240  1
2019 Acharyya A, Ge Y, Wu H, DeGrado WF, Voelz VA, Gai F. Exposing the Nucleation Site in α-Helix Folding: A Joint Experimental and Simulation Study. The Journal of Physical Chemistry. B. PMID 30694671 DOI: 10.1021/Acs.Jpcb.8B12220  1
2018 Ge Y, Borne E, Stewart S, Hansen MR, Arturo EC, Jaffe EK, Voelz VA. Simulations of the regulatory ACT domain of human phenylalanine hydroxylase unveil its mechanism of phenylalanine binding. The Journal of Biological Chemistry. PMID 30287685 DOI: 10.1074/Jbc.Ra118.004909  1
2018 Liang H, Zhou G, Ge Y, D'Ambrosio EA, Eidem TM, Blanchard C, Shehatou C, Chatare VK, Dunman PM, Valentine AM, Voelz VA, Grimes CL, Andrade RB. Elucidating the inhibition of peptidoglycan biosynthesis in Staphylococcus aureus by albocycline, a macrolactone isolated from Streptomyces maizeus. Bioorganic & Medicinal Chemistry. PMID 29805074 DOI: 10.1016/J.Bmc.2018.05.017  1
2018 Ge Y, Voelz VA. Model Selection Using BICePs: A Bayesian Approach for Force Field Validation and Parameterization. The Journal of Physical Chemistry. B. PMID 29518328 DOI: 10.1021/Acs.Jpcb.7B11871  1
2017 Ge Y, Kier BL, Andersen NH, Voelz VA. Computational and experimental evaluation of designed beta-cap hairpins using molecular simulations and kinetic network models. Journal of Chemical Information and Modeling. PMID 28614661 DOI: 10.1021/Acs.Jcim.7B00132  1
2015 Wu H, Ge Y, Tang H, Luo YJ, Mai X, Liu C. Language modulates brain activity underlying representation of kinship terms. Scientific Reports. 5: 18473. PMID 26685907 DOI: 10.1038/Srep18473  1
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