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Determination of Ligand Binding Modes in Hydrated Viral Ion Channels to Foster Drug Design and Repositioning.
Balázs Zoltán Zsidó
Rita Börzsei
Viktor Szél
Csaba Hetényi
Published in:
J. Chem. Inf. Model. (2021)
Keyphrases
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drug design
immune response
drug discovery
protein structure prediction
protein protein interactions
quantitative structure activity
protein protein
hiv protease
machine learning
database systems
dynamic programming
protein sequences
coarse grained