David Lowell Mobley
Affiliations: | University of California, Irvine, Irvine, CA |
Area:
Physical chemistry, chemical physics, statistical mechanics, biomolecular simulations, free energy calculations, thermodynamics, molecular dynamicsGoogle:
"David Mobley"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Daniel L. Cox | grad student | 2000-2004 | UC Davis | |
| (Models of cooperative dynamics from biomolecules to magnets.) | ||||
| Rajiv Ranjan Prasad Singh | grad student | 2000-2004 | UC Davis (Physics Tree) | |
| Ken A. Dill | post-doc | 2004-2008 | UCSF | |
Children
Sign in to add trainee| Victoria T. Lim | grad student | ||
| Guilherme Duarte Ramos Matos | grad student | 2013-2018 | UC Irvine |
| Caitlin C Bannan | grad student | 2014-2019 | UC Irvine |
| Yunhui Ge | post-doc | 2020- | UC Irvine |
| Lea El-Khoury | post-doc | 2017-2021 |
BETA: Related publications
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Publications
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| Smith LG, Novak B, Osato M, et al. (2024) PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State Model. Journal of Chemical Theory and Computation |
| Wang L, Schauperl M, Mobley DL, et al. (2024) A Fast, Convenient, Polarizable Electrostatic Model for Molecular Dynamics. Journal of Chemical Theory and Computation |
| Horton JT, Boothroyd S, Behara PK, et al. (2023) A transferable double exponential potential for condensed phase simulations of small molecules. Digital Discovery. 2: 1178-1187 |
| Smith LG, Novak B, Osato M, et al. (2023) PopShift: A thermodynamically sound approach to estimate binding free energies by accounting for ligand-induced population shifts from a ligand-free MSM. Biorxiv : the Preprint Server For Biology |
| Baumann HM, Dybeck E, McClendon CL, et al. (2023) Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach. Journal of Chemical Theory and Computation |
| Boothroyd S, Behara PK, Madin OC, et al. (2023) Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field. Journal of Chemical Theory and Computation |
| 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 |
| D'Amore L, Hahn DF, Dotson DL, et al. (2022) Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field. Journal of Chemical Information and Modeling |
| Hahn DF, Bayly CI, Macdonald HEB, et al. (2022) Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [Article v0.1]. Living Journal of Computational Molecular Science. 4 |
| Horton JT, Boothroyd S, Wagner J, et al. (2022) Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale. Journal of Chemical Information and Modeling |