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Ras Conformational Switching: Simulating Nucleotide-Dependent Conformational Transitions with Accelerated Molecular Dynamics.
Barry J. Grant
Alemayehu A. Gorfe
James Andrew McCammon
Published in:
PLoS Comput. Biol. (2009)
Keyphrases
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molecular dynamics
protein folding
building blocks
coarse grained
molecular dynamics simulations
secondary structure
amino acids
protein structure
databases
computer vision
digital libraries
scientific data
high performance computing
fluid flow