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pro vyhledávání: '"Valentina Piretti"'
Autor:
Dorothea Gobbo, Valentina Piretti, Rita Maria Concetta Di Martino, Shailesh Kumar Tripathi, Barbara Giabbai, Paola Storici, Nicola Demitri, Stefania Girotto, Sergio Decherchi, Andrea Cavalli
Publikováno v:
Journal of Chemical Theory and Computation. 15:4646-4659
It is widely accepted that drug-target association and dissociation rates directly affect drug efficacy and safety. To rationally optimize drug binding kinetics, one must know the atomic arrangement of the protein-ligand complex during the binding/un