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Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations.
Kai Liu
Etsurou Watanabe
Hironori Kokubo
Published in:
J. Comput. Aided Mol. Des. (2017)
Keyphrases
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molecular dynamics simulations
molecular dynamics
drug design
dna binding
protein protein
protein protein interactions
hiv protease
protein folding
high throughput
databases
protein function
amino acid sequences
protein sequences
computational methods
high performance computing
protein structure prediction