Microscopic modes and free energies for topoisomerase i-DNA covalent complex binding with non-camptothecin inhibitors by molecular docking and dynamics simulations

Theoretical Chemistry Accounts

Volumn 132, Issue 8, 2013, Pages

  Wei, Ning Ning ^a   Hamza, Adel ^a   Hao, Ce ^b   Xiu, Zhilong ^b   Zhan, Chang Guo ^a  

^a University of Kentucky   (United States)

^b DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Protein ligand interaction binding affinity molecular dynamics simulation enzyme inhibitor

Indexed keywords

EID: 84879657055     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-013-1379-z     Document Type: Article

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