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David E. Shaw
Researcher at D. E. Shaw Research
Publications - 326
Citations - 50142
David E. Shaw is an academic researcher from D. E. Shaw Research. The author has contributed to research in topics: Massively parallel & G protein-coupled receptor. The author has an hindex of 88, co-authored 298 publications receiving 42616 citations. Previous affiliations of David E. Shaw include Protein Sciences & Genentech.
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Journal ArticleDOI
Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS).
Smriti Sangwan,Anni Zhao,Anni Zhao,Katrina L. Adams,Christina K. Jayson,Michael R. Sawaya,Michael R. Sawaya,E.L. Guenther,E.L. Guenther,Albert C. Pan,Jennifer Ngo,Destaye M. Moore,A.B. Soriaga,A.B. Soriaga,Thanh D. Do,Lukasz Goldschmidt,Lukasz Goldschmidt,Rebecca Nelson,Rebecca Nelson,Michael T. Bowers,Carla M. Koehler,David E. Shaw,David E. Shaw,Bennett G. Novitch,David Eisenberg,David Eisenberg +25 more
TL;DR: The corkscrew-like structure of a cytotoxic segment of superoxide dismutase 1 (SOD1) in its oligomeric state is determined, providing a structural rationale for the toxic effects of mutant SOD1 in ALS and identifying a target for structure-based therapeutics in ALS.
Proceedings ArticleDOI
A scalable parallel framework for analyzing terascale molecular dynamics simulation trajectories
Tiankai Tu,C. A. Rendleman,David W. Borhani,Ron O. Dror,Justin Gullingsrud,Morten Ø. Jensen,John L. Klepeis,Paul Maragakis,Patrick J. Miller,Kate A. Stafford,David E. Shaw +10 more
TL;DR: A new parallel analysis framework called HiMach, which allows users to write trajectory analysis programs sequentially, and carries out the parallel execution of the programs automatically, and an extension to the original MapReduce model to support multiple rounds of analysis.
Journal ArticleDOI
Demonstrating an Order-of-Magnitude Sampling Enhancement in Molecular Dynamics Simulations of Complex Protein Systems
TL;DR: Comparisons demonstrate that simulated tempering can consistently achieve a substantial sampling speedup of an order of magnitude or more relative to conventional MD.
Journal ArticleDOI
Dynamic control of slow water transport by aquaporin 0: Implications for hydration and junction stability in the eye lens
Morten Ø. Jensen,Ron O. Dror,Huafeng Xu,David W. Borhani,Isaiah T. Arkin,Michael P. Eastwood,David E. Shaw +6 more
TL;DR: It is hypothesized that the structural features leading to low permeability may have evolved in part to allow AQP0 to form junctions that both conduct water and contribute to the organizational structure of the fiber cell tissue and microcirculation within it, as required to maintain transparency of the lens.
Proceedings ArticleDOI
Inferring LISP programs from examples
TL;DR: A program is described which infers certain recursive LISP programs from single example input-output pairs and the operation of the program and its important heuristics are outlined.