Bridging microscopic and macroscopic mechanisms of p53-MDM2 binding with kinetic network models G Zhou, GA Pantelopulos, S Mukherjee, VA Voelz Biophysical journal 113 (4), 785-793, 2017 | 95 | 2017 |
Environmentally friendly synthesis of alkaline anion exchange membrane for fuel cells via a solvent-free strategy L Wu, G Zhou, X Liu, ZH Zhang, C Li, T Xu Journal of membrane science 371 (1-2), 155-162, 2011 | 75 | 2011 |
Force field optimization guided by small molecule crystal lattice data enables consistent sub-angstrom protein–ligand docking H Park, G Zhou, M Baek, D Baker, F DiMaio Journal of Chemical Theory and Computation 17 (3), 2000-2010, 2021 | 68 | 2021 |
A maximum-caliber approach to predicting perturbed folding kinetics due to mutations H Wan, G Zhou, VA Voelz Journal of chemical theory and computation 12 (12), 5768-5776, 2016 | 53 | 2016 |
Insights into peptoid helix folding cooperativity from an improved backbone potential S Mukherjee, G Zhou, C Michel, VA Voelz The Journal of Physical Chemistry B 119 (50), 15407-15417, 2015 | 49 | 2015 |
Cyclic peptide structure prediction and design using AlphaFold SA Rettie, KV Campbell, AK Bera, A Kang, S Kozlov, J De La Cruz, ... bioRxiv, 2023 | 42 | 2023 |
Fluorinated aromatic monomers as building blocks to control α-peptoid conformation and structure D Gimenez, G Zhou, MFD Hurley, JA Aguilar, VA Voelz, SL Cobb Journal of the American Chemical Society 141 (8), 3430-3434, 2019 | 40 | 2019 |
Diverted Total Synthesis of Carolacton-Inspired Analogs Yields Three Distinct Phenotypes in Streptococcus mutans Biofilms AE Solinski, AB Koval, RS Brzozowski, KR Morrison, AJ Fraboni, ... Journal of the American Chemical Society 139 (21), 7188-7191, 2017 | 35 | 2017 |
Surprisal metrics for quantifying perturbed conformational dynamics in Markov state models VA Voelz, B Elman, AM Razavi, G Zhou Journal of chemical theory and computation 10 (12), 5716-5728, 2014 | 29 | 2014 |
Bayesian inference of conformational state populations from computational models and sparse experimental observables VA Voelz, G Zhou Journal of Computational Chemistry 35 (30), 2215-2224, 2014 | 29 | 2014 |
Elucidating the inhibition of peptidoglycan biosynthesis in Staphylococcus aureus by albocycline, a macrolactone isolated from Streptomyces maizeus H Liang, G Zhou, Y Ge, EA D'Ambrosio, TM Eidem, C Blanchard, ... Bioorganic & medicinal chemistry 26 (12), 3453-3460, 2018 | 22 | 2018 |
An artificial intelligence accelerated virtual screening platform for drug discovery G Zhou, DV Rusnac, H Park, D Canzani, HM Nguyen, L Stewart, MF Bush, ... Nature Communications 15 (1), 7761, 2024 | 20 | 2024 |
Using kinetic network models to probe non-native salt-bridge effects on α-helix folding G Zhou, VA Voelz The journal of physical chemistry B 120 (5), 926-935, 2016 | 20 | 2016 |
Automatic and accurate ligand structure determination guided by cryo-electron microscopy maps A Muenks, S Zepeda, G Zhou, D Veesler, F DiMaio Nature Communications 14 (1), 1164, 2023 | 11 | 2023 |
Computational drug repurposing studies on SARS-CoV-2 protein targets G Zhou, L Stewart, G Reggiano, F DiMaio | 10 | 2020 |
Protein ligand structure prediction: From empirical to deep learning approaches G Zhou, F DiMaio Current Opinion in Structural Biology 91, 102998, 2025 | | 2025 |
Modeling protein-small molecule conformational ensembles with ChemNet I Anishchenko, Y Kipnis, I Kalvet, G Zhou, R Krishna, SJ Pellock, A Lauko, ... bioRxiv, 2024 | | 2024 |
Toward high-resolution modeling of small molecule–ion channel interactions BJ Harris, PT Nguyen, G Zhou, H Wulff, F DiMaio, V Yarov-Yarovoy Frontiers in Pharmacology 15, 1411428, 2024 | | 2024 |
Automated identification of small molecules in cryo-electron microscopy data with density-and energy-guided evaluation A Muenks, DP Farrell, G Zhou, F DiMaio bioRxiv, 2024.11. 20.623795, 2024 | | 2024 |
Statistical Models and Their Applications In Studying Biomolecular Conformational Dynamics G Zhou Temple University, 2017 | | 2017 |