Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times

Luca Mollica, Isabelle Theret, Mathias Antoine, Françoise Perron-Sierra, Yves Charton, Jean Marie Fourquez, Michel Wierzbicki, Jean A. Boutin, Gilles Ferry, Sergio Decherchi, Giovanni Bottegoni, Pierre Ducrot*, Andrea Cavalli

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

48 Citations (Scopus)

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Medicine & Life Sciences

Chemistry