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Grid-based Nonequilibrium Multiple-Time Scale Molecular Dynamics/Brownian Dynamics Simulations of Ligand-Receptor Interactions in Structured Protein Systems.
Yaohang Li
Michael Mascagni
Michael H. Peter
Published in:
CCGRID (2003)
Keyphrases
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molecular dynamics
molecular dynamics simulations
high performance computing
protein folding
scientific data
computing systems
complex systems
management system
drug discovery
computer systems
protein sequences
fault tolerant
biological systems
numerical simulations
data generation
drug design
distributed systems