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Molecular dynamics / Theoretical chemistry / Molecular modelling / Anton / Force field / N-body simulation / Water model / Simulation / Energy drift / Chemistry / Computational chemistry / Science


Millisecond-Scale Molecular Dynamics Simulations on Anton David E. Shaw *, Ron O. Dror, John K. Salmon, J.P. Grossman, Kenneth M. Mackenzie,
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Document Date: 2013-06-11 14:52:15


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File Size: 3,02 MB

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City

Bristol / New York / Portland / Miami / Tampa / /

Company

Protein Data Bank / Joseph A. Bank / Specialized Hardware / HP / CO-DESIGN OF ALGORITHMS AND HARDWARE / Intel / Kenneth M. Mackenzie / /

Country

United States / United Kingdom / /

Currency

AMD / USD / /

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Facility

J. B. Hall / /

IndustryTerm

chemical system size / substantial software development effort / chemical systems / time computing / certain smaller chemical systems / cubical chemical system / chemical system / typical chemical system sizes / generalpurpose hardware / tensor products / test infrastructure / software package / lists energy drift figures / conventional processor / system energy / computer hardware / water systems / commodity processors / application-specific hardware / conventional processors / multicore processors / systems software / recent software / lower energy drift / chemical shielding tensors / protein-in-water systems / chemical system size increases / larger chemical systems / commodity hardware / Energy drift / biomolecular systems / co-designed algorithms / sized protein systems / protein systems / obtained using a software package / /

MarketIndex

DHFR / CHARMM / /

Organization

ASIC / US Federal Reserve / /

Person

Adam Hilger / Lev Iserovich / Martin M. Deneroff / Mark A. Moraes / Jochen Spengler / John L. Klepeis / Ron O. Dror / Rebecca Kastleman / Michael P. Eastwood / Paul Maragakis / Richard H. Larson / Daniel Ramot / Jon Peticolas / Jennifer McGrady / Kevin J. Bowers / Amos Even / Jeffrey S. Kuskin / Douglas J. Ierardi / Edmond Chow / Constraints Most / Ben Vitale / Anton Anton / Brian Towles / /

Position

arbitrary function evaluator / similar function evaluator / /

ProvinceOrState

Maryland / Oregon / New York / Florida / /

Technology

commodity processors / multicore processors / Remez exchange algorithm / ASIC / The algorithms / conventional processor / 90-nm technology / carefully co-designed algorithms / simulation / /

URL

http /

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