D
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.
Papers
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Journal ArticleDOI
Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations
Willy Wriggers,Kate A. Stafford,Yibing Shan,Stefano Piana,Paul Maragakis,Kresten Lindorff-Larsen,Patrick J. Miller,Justin Gullingsrud,C. A. Rendleman,Michael P. Eastwood,Ron O. Dror,David E. Shaw +11 more
TL;DR: This paper presents automated methods for the detection of potentially important structure-changing events in long MD trajectories and provides a detailed report of broken and formed contacts that aids in the identification of specific time-dependent side-chain interactions.
Journal ArticleDOI
The crystal structure of JNK2 reveals conformational flexibility in the MAP kinase insert and indicates its involvement in the regulation of catalytic activity.
David E. Shaw,Sandra M. Wang,Armando G. Villaseñor,Stan Tsing,David Walter,Michelle F. Browner,Jim W. Barnett,Andreas Kuglstatter +7 more
TL;DR: The crystal structure of human JNK2 complexed with an indazole inhibitor is determined by applying a high-throughput protein engineering and surface-site mutagenesis approach and a novel conformation of the activation loop is observed, which is not compatible with its phosphorylation by upstream kinases.
Journal ArticleDOI
Execution of OPS5 production systems on a massively parallel machine
Bruce K. Hillyer,David E. Shaw +1 more
TL;DR: An algorithm for executing production systems expressed in the OPS5 language on a massively parallel multiple-SIMD machine called NON-VON, portions of which are currently under construction at Columbia University, and predicts an execution rate of more than 850 production firings per second.