Unrestrained 5 ns molecular dynamics simulation of a cisplatin-DNA 1,2-GG adduct provides a rationale for the NMR features and reveals increased conformational flexibility at the platinum binding site
摘要: … -Crick hydrogen bonds. The simulation indicated the reversible formation of a hydrogen bond between the 5′ oriented NH 3 ligand of platinum and the C3pG∗4 phosphate group, in …