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CPHYSICS
2007
84views more  CPHYSICS 2007»
13 years 7 months ago
Simulating botulinum neurotoxin with constant pH molecular dynamics in Generalized Born implicit solvent
A new method was proposed by Mongan et al for constant pH molecular dynamics simulation and was implemented in AMBER 8 package. Protonation states are modeled with different char...
Yongzhi Chen, Xin Chen, Yuefan Deng
FPL
2009
Springer
162views Hardware» more  FPL 2009»
13 years 10 months 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
CSB
2005
IEEE
139views Bioinformatics» more  CSB 2005»
14 years 1 months ago
Using Parallel Algorithms for Searching Molecular Sequence Databases
This work presents the development of algorithms for approximate string matching using parallel methods. It intends to do the maximum of molecular sequences comparisons per unity ...
Carla Correa Tavares dos Reis, Rubem P. Mondaini
ERSA
2007
142views Hardware» more  ERSA 2007»
13 years 9 months ago
An FPGA Implementation of Reciprocal Sums for SPME
Molecular Dynamics simulations have become an interesting target for acceleration using Field-Programmable Gate Arrays (FPGA). Still to be attempted completely in FPGA hardware is...
Sam Lee, Paul Chow
HPCN
1997
Springer
13 years 11 months ago
Parallel Simulation of Ion Recombination in Nonpolar Liquids
Abstract. Ion recombination in nonpolar liquids is an important problem in radiation chemistry. We have designed and implemented a parallel Monte Carlo simulation for this computat...
Frank J. Seinstra, Henri E. Bal, Hans J. W. Spoeld...