Sciweavers

595 search results - page 6 / 119
» Experiences of Using Cassandra for Molecular Dynamics Simula...
Sort
View
ISCA
2007
IEEE
196views Hardware» more  ISCA 2007»
15 years 3 months ago
Anton, a special-purpose machine for molecular dynamics simulation
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and other biological macromolecules could in principle provide answers to some of the ...
David E. Shaw, Martin M. Deneroff, Ron O. Dror, Je...
JCC
2002
94views more  JCC 2002»
14 years 9 months ago
Modern protein force fields behave comparably in molecular dynamics simulations
: Several molecular dynamics simulations were performed on three proteins--bovine apo-calbindin D9K, human interleukin-4 R88Q mutant, and domain IIA of bacillus subtilis glucose pe...
Daniel J. Price, Charles L. Brooks III
FPL
2009
Springer
162views Hardware» more  FPL 2009»
15 years 25 days ago
Efficient particle-pair filtering for acceleration of molecular dynamics simulation
The acceleration of molecular dynamics (MD) simulations using high performance reconfigurable computing (HPRC) has been much studied. Given the intense competition from multicore...
Matt Chiu, Martin C. Herbordt
BMCBI
2010
191views more  BMCBI 2010»
14 years 4 months ago
Molecular dynamics simulation studies and in vitro site directed mutagenesis of avian beta-defensin Apl_AvBD2
Background: Defensins comprise a group of antimicrobial peptides, widely recognized as important elements of the innate immune system in both animals and plants. Cationicity, rath...
Soja Saghar Soman, Krishnankutty Chandrika Sivakum...
WSC
1998
14 years 11 months ago
Parallel Implementation of a Molecular Dynamics Simulation Program
We have taken a NIST molecular dynamics simulation program (md3), which was configured as a single sequential process running on a CRAY C90 vector supercomputer, and parallelized ...
Alan Mink, Christophe Bailly