Microscopic Modes and Free Energies for Topoisomerase I-DNA Covalent Complex Binding with Non-campothecin Inhibitors by Molecular Docking and Dynamics Simulations

von Wei, Ning-Ning
Veröffentlicht in: Theoretical chemistry accounts (2013)

Time-dependent density functional theory study on the electronic excited-state hydrogen-bonding dynamics of 4-aminophthalimide (4AP) in aqueous solution 4AP and 4AP-(H(2)O)(1,2) cl...

von Wang, Rui
Veröffentlicht in: Journal of computational chemistry (2010)

Time-dependent density functional theory study on excited-state dihydrogen bonding O-H···H-Ge of the dihydrogen-bonded phenol-triethylgermanium complex

von Wei, Ning-Ning
Veröffentlicht in: Journal of computational chemistry (2010)