| Development and benchmarking of open force field v1. 0.0—the parsley small-molecule force field Y Qiu, DGA Smith, S Boothroyd, H Jang, DF Hahn, J Wagner, CC Bannan, ... Journal of chemical theory and computation 17 (10), 6262-6280, 2021 | 117 | 2021 |
| Development and benchmarking of open force field 2.0. 0: the Sage small molecule force field S Boothroyd, PK Behara, OC Madin, DF Hahn, H Jang, V Gapsys, ... Journal of chemical theory and computation 19 (11), 3251-3275, 2023 | 38 | 2023 |
| Cadmium (II) inhibition of human uracil-DNA glycosylase by catalytic water supplantation T Gokey, B Hang, AB Guliaev Scientific reports 6 (1), 39137, 2016 | 27 | 2016 |
| Creation of an HDAC-based yeast screening method for evaluation of marine-derived actinomycetes: discovery of streptosetin A T Amagata, J Xiao, YP Chen, N Holsopple, AG Oliver, T Gokey, ... Journal of natural products 75 (12), 2193-2199, 2012 | 27 | 2012 |
| Open force field BespokeFit: automating bespoke torsion parametrization at scale JT Horton, S Boothroyd, J Wagner, JA Mitchell, T Gokey, DL Dotson, ... Journal of chemical information and modeling 62 (22), 5622-5633, 2022 | 17 | 2022 |
| Naphthablins B and C, Meroterpenoids Identified from the Marine Sediment-Derived Streptomyces sp. CP26-58 Using HeLa Cell-Based Cytological Profiling H Martucci, SE Campit, SR Gee, WM Bray, T Gokey, AK Cada, TY Yen, ... Journal of natural products 80 (3), 684-691, 2017 | 15 | 2017 |
| Kinetics and free energy of ligand dissociation using weighted ensemble milestoning D Ray, T Gokey, DL Mobley, I Andricioaei The Journal of chemical physics 153 (15), 2020 | 13 | 2020 |
| Evaluation of benzoic acid derivatives as sirtuin inhibitors YP Chen, CC Catbagan, JT Bowler, T Gokey, NDM Goodwin, AB Guliaev, ... Bioorganic & medicinal chemistry letters 24 (1), 349-352, 2014 | 11 | 2014 |
| Structure of the Bacillus anthracis dTDP-l-rhamnose biosynthetic pathway enzyme: dTDP-α-d-glucose 4, 6-dehydratase, RfbB T Gokey, AS Halavaty, G Minasov, WF Anderson, ML Kuhn Journal of structural biology 202 (2), 175-181, 2018 | 9 | 2018 |
| Engineering trypsin for inhibitor resistance AR Batt, CP St. Germain, T Gokey, AB Guliaev, T Baird Jr Protein Science 24 (9), 1463-1474, 2015 | 9 | 2015 |
| Conformational dynamics of threonine 195 and the S1 subsite in functional trypsin variants T Gokey, TT Baird, AB Guliaev Journal of molecular modeling 18, 4941-4954, 2012 | 7 | 2012 |
| Dimerization misalignment in human glutamate-oxaloacetate transaminase variants is the primary factor for PLP release J Lee, T Gokey, D Ting, ZH He, AB Guliaev Plos one 13 (9), e0203889, 2018 | 6 | 2018 |
| openforcefield/openforcefields: Version 1.2. 0" Parsley H Jang, J Maat, Y Qiu, DG Smith, S Boothroyd, J Wagner, CC Bannan, ... Update, June, 2020 | 5 | 2020 |
| openforcefield/openforcefields: Version 1.2. 0 “Parsley” update H Jang, J Maat, Y Qiu, DG Smith, S Boothroyd, J Wagner, CC Bannan, ... Zenodo.[Google Scholar], 2020 | 5 | 2020 |
| openforce-field/openforcefields: Version 1.0. 0 “Parsley” Y Qiu, DGA Smith, S Boothroyd, J Wagner, CC Bannan, T Gokey, H Jang, ... Zenodo, 2019 | 4 | 2019 |
| Structural Characterization of Heavy Metal Toxicity in a Human DNA Repair Glycosylase T Gokey, B Hang, A Guliaev Biophysical Journal 106 (2), 690a, 2014 | 1 | 2014 |
| Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields PK Behara, H Jang, J Horton, T Gokey, D Dotson, S Boothroyd, C Bayly, ... | | 2024 |
| Development and benchmarking of a self-consistent force field for proteins and small molecules from open force field CE Cavender, PK Behara, DL Dotson, AJ Friedman, T Gokey, JT Horton, ... Biophysical Journal 123 (3), 421a, 2024 | | 2024 |
| Hierarchical clustering of chemical space using binary-encoded SMARTS for building data-driven chemical perception models T Gokey, DL Mobley | | 2023 |
| Kinetics and Free Energy of Protein Ligand Interaction using Weighted Ensemble Milestoning (WEM) D Ray, T Gokey, DL Mobley, I Andricioaei Biophysical Journal 120 (3), 97a, 2021 | | 2021 |
