David Lowell Mobley

Affiliations: 
University of California, Irvine, Irvine, CA 
Area:
Physical chemistry, chemical physics, statistical mechanics, biomolecular simulations, free energy calculations, thermodynamics, molecular dynamics
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"David Mobley"
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Parents

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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

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Teresa Danielle Bergazin grad student 2017-
Guilherme Duarte Ramos Matos grad student 2013-2018 UC Irvine
Lea El-Khoury post-doc 2017-
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Publications

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Slochower DR, Henriksen NM, Wang LP, et al. (2019) Binding thermodynamics of host-guest systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative. Journal of Chemical Theory and Computation
Wall ME, Calabró G, Bayly CI, et al. (2019) Biomolecular Solvation Structure Revealed by Molecular Dynamics Simulations. Journal of the American Chemical Society
Lim VT, Bayly CI, Fusti-Molnar L, et al. (2019) Assessing the conformational equilibrium of carboxylic acid via QM and MD studies on acetic acid. Journal of Chemical Information and Modeling
Zanette C, Bannan CC, Bayly CI, et al. (2018) Toward learned chemical perception of force field typing rules. Journal of Chemical Theory and Computation
Rizzi A, Murkli S, McNeill JN, et al. (2018) Overview of the SAMPL6 host-guest binding affinity prediction challenge. Journal of Computer-Aided Molecular Design
Işık M, Levorse D, Rustenburg AS, et al. (2018) pK measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments. Journal of Computer-Aided Molecular Design
Mobley DL, Bannan CC, Rizzi A, et al. (2018) Escaping atom types in force fields using direct chemical perception. Journal of Chemical Theory and Computation
Bannan CC, Mobley DL, Skillman AG. (2018) SAMPL6 challenge results from [Formula: see text] predictions based on a general Gaussian process model. Journal of Computer-Aided Molecular Design
Loeffler HH, Bosisio S, Duarte Ramos Matos G, et al. (2018) Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software. Journal of Chemical Theory and Computation
Gill SC, Lim NM, Grinaway PB, et al. (2018) Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo. The Journal of Physical Chemistry. B
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