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

Author: Wei Ning-Ning   Hamza Adel   Hao Ce   Xiu Zhilong   Zhan Chang-Guo  

Publisher: Springer Publishing Company

ISSN: 1432-881X

Source: Theoretical Chemistry Accounts, Vol.132, Iss.8, 2013-08, pp. : 1-11

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