Reduced state transition barrier of CDK6 from open to closed state induced by Thr177 phosphorylation and its implication in binding modes of inhibitors - He, Huan; Xu, Juan; Xie, Wen; Guo, Qing-Lian; Jiang, Feng-Lei; Liu, Yi (Biochimica et biophysica acta, 2018)
Keywords: antineoplastic agents; Binding modes; binding sites; CDK6; cell cycle; cluster analysis; Gibbs free energy; molecular dynamics; Molecular dynamics simulations; molecular models; phosphorylation; State transition; Binding modes; CDK6; State transition; Molecular dynamics simulations