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Contact Map Fingerprints of Protein–Ligand Unbinding Trajec..:
Bianciotto, Marc
;
Gkeka, Paraskevi
;
Kokh, Daria B.
..
Journal of Chemical Theory and Computation. 17 (2021) 10 - p. 6522-6535 , 2021
Link:
https://doi.org/10.1021/acs.jctc.1c00453
RT Journal T1 <Title>Contact Map Fingerprints of Protein–Ligand Unbinding Trajectories Reveal Mechanisms Determining Residence Times Computed from Scaled Molecular Dynamics</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.1c00453&Exemplar=1&LAN=DE A1 Bianciotto, Marc A1 Gkeka, Paraskevi A1 Kokh, Daria B. A1 Wade, Rebecca C. A1 Minoux, Hervé PB American Chemical Society (ACS) YR 2021 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 17 IS 10 SP 6522 OP 6535 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c00453 DO https://doi.org/10.1021/acs.jctc.1c00453 SF ELIB - SuUB Bremen
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