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Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations.
Sonia Ziada
Julien Diharce
Eric Raimbaud
Samia Aci-Sèche
Pierre Ducrot
Pascal Bonnet
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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molecular dynamics simulations
molecular dynamics
databases
active learning
response time