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Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations.
Naoki Ogawa
Masateru Ohta
Mitsunori Ikeguchi
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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molecular dynamics simulations
molecular dynamics
hiv protease
protein folding
coarse grained
fine grained
high level
human immunodeficiency virus
databases
data mining