Chasing the full free energy landscape of neuroreceptor/ligand unbinding by metadynamics simulations
Capelli, Riccardo, Bochicchio, Anna, Piccini, GiovanniMaria, Casasnovas, Rodrigo, Carloni, Paolo, Parrinello, MicheleJournal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00118
Date:
March, 2019
Fichier:
PDF, 32.77 MB
2019
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