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HIV-1 TAR RNA Spontaneously Undergoes Relevant Apo-to-Holo Conformational Transitions in Molecular Dynamics and Constrained Geometrical Simulations.
Simone Fulle
Nina Alexandra Christ
Eva Kestner
Holger Gohlke
Published in:
J. Chem. Inf. Model. (2010)
Keyphrases
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molecular dynamics
protein folding
secondary structure
molecular dynamics simulations
high performance computing
scientific data
fluid flow
response time
fine grained
protein sequences
mathematical models
coarse grained