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» Reconfigurable Molecular Dynamics Simulator
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FPL
2006
Springer
123views Hardware» more  FPL 2006»
14 years 2 months ago
Improved Interpolation and System Integration for FPGA-Based Molecular Dynamics Simulations
: FPGA-based acceleration of molecular dynamics (MD) has been the subject of several recent studies. Here we describe a new non-bonded force computation pipeline implemented on a 2...
Yongfeng Gu, Tom Van Court, Martin C. Herbordt
BMCBI
2010
191views more  BMCBI 2010»
13 years 6 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...
FCCM
2007
IEEE
169views VLSI» more  FCCM 2007»
14 years 5 months ago
FPGA-Based Multigrid Computation for Molecular Dynamics Simulations
Abstract: FPGA-based acceleration of molecular dynamics (MD) has been the subject of several recent studies. Implementing long-range forces, however, has only recently been address...
Yongfeng Gu, Martin C. Herbordt
ISCA
2007
IEEE
196views Hardware» more  ISCA 2007»
14 years 5 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...
BMCBI
2011
13 years 6 months ago
Implementation of Force Distribution Analysis for Molecular Dynamics simulations
Background: The way mechanical stress is distributed inside and propagated by proteins and other biopolymers largely defines their function. Yet, determining the network of intera...
Wolfram Stacklies, Christian Seifert, Frauke Graet...