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JCC
2002
94views more  JCC 2002»
11 years 5 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
FCCM
2004
IEEE
143views VLSI» more  FCCM 2004»
11 years 9 months ago
Reconfigurable Molecular Dynamics Simulator
Current high-performance applications are typically implemented on large-scale general-purpose distributed or multiprocessing systems often based on commodity microprocessors. Fie...
Navid Azizi, Ian Kuon, Aaron Egier, Ahmad Darabiha...
JCC
2006
103views more  JCC 2006»
11 years 5 months ago
Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics
: The major bottleneck of today's atomistic molecular dynamics (MD) simulations is that because of the enormous computational effort involved, only processes at nanoseconds to...
Oliver F. Lange, Lars V. Schäfer, Helmut Grub...
BMCBI
2006
239views more  BMCBI 2006»
11 years 5 months ago
Applying dynamic Bayesian networks to perturbed gene expression data
Background: A central goal of molecular biology is to understand the regulatory mechanisms of gene transcription and protein synthesis. Because of their solid basis in statistics,...
Norbert Dojer, Anna Gambin, Andrzej Mizera, Bartek...
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