D
David L. Mobley
Researcher at University of California, Irvine
Publications - 199
Citations - 12960
David L. Mobley is an academic researcher from University of California, Irvine. The author has contributed to research in topics: Solvation & Medicine. The author has an hindex of 51, co-authored 177 publications receiving 10569 citations. Previous affiliations of David L. Mobley include University of California & NewYork–Presbyterian Hospital.
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Liquid-like and rigid-body motions in molecular-dynamics simulations of a crystalline protein
TL;DR: LLM behavior of global dynamics is present in molecular-dynamics simulations of a protein crystal and RBM behavior is detectable in the simulations but that it is subsumed by the LLM behavior.
Journal ArticleDOI
Simulations of Oligomeric Intermediates in Prion Diseases
TL;DR: In this paper, a stochastic cellular automata-based model for areal aggregation of prion proteins on neuronal surfaces is proposed, which can simulate both strong beta-sheet and weaker attachment bonds between proteins.
Posted Content
Atomic radius and charge parameter uncertainty in biomolecular solvation energy calculations
TL;DR: In this paper, a method for quantifying uncertainty in implicit solvation calculations of small molecules using surrogate models based on generalized polynomial chaos (gPC) expansions is presented.
Posted ContentDOI
Enhancing Sidechain Rotamer Sampling Using Non-Equilibrium Candidate Monte Carlo
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The structure of Mycobacterium tuberculosis heme-degrading protein, MhuD, in complex with product
TL;DR: MhuD’s high affinity for its product and structural and electrostatic changes that accompany substrate turnover suggest that there is an unidentified protein that is responsible for product extraction from MhuD and other IsdG-type proteins.