Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations

Sonia Ziada (1) , Julien Diharce (1) , Eric Raimbaud (2) , Samia Aci-Sèche (1) , Pierre Ducrot (2) , Pascal Bonnet (1)

1 ICOA - Institut de Chimie Organique et Analytique
2 IRS - Institut de Recherches SERVIER

Domains: Chemical Sciences

Sonia Ziada, Julien Diharce, Eric Raimbaud, Samia Aci-Sèche, Pierre Ducrot, et al.. Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations. Journal of Chemical Information and Modeling, 2022, ⟨10.1021/acs.jcim.2c00852⟩. ⟨hal-03855904⟩