PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 28580424-2 2017 We report the unbinding dynamics of the anticancer drug dasatinib from c-Src kinase in full atomistic resolution using enhanced sampling molecular dynamics simulations. Dasatinib 56-65 C-terminal Src kinase Homo sapiens 71-83 34472425-0 2021 Complete reconstruction of dasatinib unbinding pathway from c-Src kinase by supervised molecular dynamics simulation method; assessing efficiency and trustworthiness of the method. Dasatinib 27-36 C-terminal Src kinase Homo sapiens 60-72 34472425-4 2021 In this work, we utilized this strategy to reconstruct the unbinding pathway of the anticancer drug dasatinib from its target protein, the c-Src kinase. Dasatinib 100-109 C-terminal Src kinase Homo sapiens 139-151 32525544-7 2020 Here, we have described a dynamical binding"s process of an anticancer drug, the dasatinib, to the c-Src kinase in full atomistic details for the first time, without applying any biasing force or potential which may lead the drug to artificial interactions with the protein. Dasatinib 81-90 C-terminal Src kinase Homo sapiens 99-111