Molecular dynamics and free energy analyses of erk2pyrazolylpyrrole inhibitors interactions: Insight into structure-based ligand design

Journal of Theoretical and Computational Chemistry

Volumn 8, Issue 5, 2009, Pages 887-908

  Zhan, Jin Hui ^a   Zhao, Xi ^a   Huang, Xu Ri ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

ERK2; Flexibility; Inhibitor; MM PBSA; Molecular dynamics

Indexed keywords

EID: 70449556137     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633609005131     Document Type: Article

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