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Inhibitor and Substrate Binding by Angiotensin-Converting Enzyme: Quantum Mechanical/Molecular Mechanical Molecular Dynamics Studies.
Xuemei Wang
Shanshan Wu
Dingguo Xu
Daiqian Xie
Hua Guo
Published in:
J. Chem. Inf. Model. (2011)
Keyphrases
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molecular dynamics
protein folding
scientific data
hiv protease
molecular dynamics simulations
quantum mechanics
high performance computing
data mining
three dimensional
sensor networks
fault tolerant
finite element model
fluid flow