Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
(a) PMF associated to DSI sliding along the DNA minor groove. Standard deviation is reported in the inset. (b) Schematic view of the configuration corresponding to the free energy minimum. (c) Structures of three relevant conformations of the complex. The third structure (from the left) was rotated ∼40° about the helical axis to center the drug for visualization. Molecular surfaces of drug and DNA are depicted in transparent red and blue, respectively.
