| Escaping atom types in force fields using direct chemical perception DL Mobley, CC Bannan, A Rizzi, CI Bayly, JD Chodera, VT Lim, NM Lim, ... Journal of chemical theory and computation 14 (11), 6076-6092, 2018 | 157 | 2018 |
| 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 | 118 | 2021 |
| Benchmark assessment of molecular geometries and energies from small molecule force fields VT Lim, DF Hahn, G Tresadern, CI Bayly, DL Mobley F1000Research 9, 2020 | 42 | 2020 |
| Open Force Field Consortium: Escaping atom types using direct chemical perception with SMIRNOFF v0. 1 DL Mobley, CC Bannan, A Rizzi, CI Bayly, JD Chodera, VT Lim, NM Lim, ... BioRxiv, 286542, 2018 | 39 | 2018 |
| Quantum-mechanics methodologies in drug discovery: applications of docking and scoring in lead optimization A Crespo, A Rodriguez-Granillo, VT Lim Current Topics in Medicinal Chemistry 17 (23), 2663-2680, 2017 | 33 | 2017 |
| Improving small molecule force fields by identifying and characterizing small molecules with inconsistent parameters JN Ehrman, VT Lim, CC Bannan, N Thi, DY Kyu, DL Mobley Journal of computer-aided molecular design 35, 271-284, 2021 | 18 | 2021 |
| Assessing the conformational equilibrium of carboxylic acid via quantum mechanical and molecular dynamics studies on acetic acid VT Lim, CI Bayly, L Fusti-Molnar, DL Mobley Journal of chemical information and modeling 59 (5), 1957-1964, 2019 | 18 | 2019 |
| HIFs: New arginine mimic inhibitors of the Hv1 channel with improved VSD–ligand interactions C Zhao, L Hong, JD Galpin, S Riahi, VT Lim, PD Webster, DJ Tobias, ... Journal of General Physiology 153 (9), e202012832, 2021 | 17 | 2021 |
| A novel Hv1 inhibitor reveals a new mechanism of inhibition of a voltage-sensing domain C Zhao, L Hong, S Riahi, VT Lim, DJ Tobias, F Tombola Journal of General Physiology 153 (9), e202012833, 2021 | 10 | 2021 |
| Thermodynamics and mechanism of the membrane permeation of Hv1 channel blockers VT Lim, JA Freites, F Tombola, DJ Tobias The Journal of membrane biology 254, 5-16, 2021 | 9 | 2021 |
| Insights on small molecule binding to the Hv1 proton channel from free energy calculations with molecular dynamics simulations VT Lim, AD Geragotelis, NM Lim, JA Freites, F Tombola, DL Mobley, ... Scientific reports 10 (1), 13587, 2020 | 9 | 2020 |
| Enantioselective Synthesis of α‐Bromonitroalkanes for Umpolung Amide Synthesis: Preparation of tert‐Butyl ((1 R)‐1‐(4‐(benzyloxy) phenyl)‐2‐bromo‐2‐nitroethyl) carbamate VT Lim, SV Tsukanov, AB Stephens, JN Johnston* Organic Syntheses 93, 88-99, 2017 | 9 | 2017 |
| Open Force Field Consortium: Escaping Atom Types Using Direct Chemical Perception with SMIRNOFF v0. 1. bioRxiv. 2018 D Mobley, CC Bannan, A Rizzi, CI Bayly, JD Chodera, VT Lim, NM Lim, ... 2018, 0 | 7 | |
| 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 |
| Improving Force Fields by Identifying and Characterizing Small Molecules with Parameter Inconsistencies JN Ehrman, CC Bannan, VT Lim, N Thi, DY Kyu, DL Mobley ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | 3 | 2019 |
| Characterization of the dynamic resting state of a pentameric ligand-gated ion channel by cryo-electron microscopy and simulations U Rovšnik, Y Zhuang, L Axelsson, BO Forsberg, V Lim, M Carroni, C Blau, ... bioRxiv, 2020.06. 19.161356, 2020 | 2 | 2020 |
| Balancing Stereochemistry and Goodness-of-Fit for Automated Simulation-Based Refinement into Cryo-EM Maps LS Axelsson, U Rovsnik, C Blau, M Lycksell, V Lim, RJ Howard, ... Biophysical Journal 120 (3), 173a, 2021 | | 2021 |
| Benchmark assessment of molecular geometries and energies from small molecule force V Lim, D Hahn, G Tresadern | | 2020 |
David MobleyProfessor, University of California, Irvineכתובת אימייל מאומתת בדומיין uci.edu
