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 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)

Numerical characterization of the conformation of cyclic peptides and its application

von Liu, Xiaoqing
Veröffentlicht in: Journal of computational chemistry (2007)