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Investigating Drug–Target Residence Time in Kinases through Enhanced Sampling Simulations.

Authors :
Gobbo, Dorothea
Piretti, Valentina
Di Martino, Rita Maria Concetta
Tripathi, Shailesh Kumar
Giabbai, Barbara
Storici, Paola
Demitri, Nicola
Girotto, Stefania
Decherchi, Sergio
Cavalli, Andrea
Source :
Journal of Chemical Theory & Computation; Aug2019, Vol. 15 Issue 8, p4646-4659, 14p
Publication Year :
2019

Details

Language :
English
ISSN :
15499618
Volume :
15
Issue :
8
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
144959667
Full Text :
https://doi.org/10.1021/acs.jctc.9b00104