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Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release.
Kwangho Nam
Abdul Raafik Arattu Thodika
Christin Grundström
Uwe H. Sauer
Magnus Wolf-Watz
Published in:
J. Chem. Inf. Model. (2024)
Keyphrases
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drug discovery
dynamic model
sequence alignment
amino acids
drug design
data sets
recurrent networks
dynamical systems
case study
decision trees
databases
database
high throughput
multi agent
biological data
temporal evolution
virtual screening