ANTECHAMBER & GAFF

A useful toolkit to help you run AMBER on the fly


Crystal structure of HIV-1 RT complexed with EFZ (in red), a new approaved anti-AIDS drug

Crystal structure of HIV-1 RT complexed with EFZ

In a blind test with Dupont Pharamceuticals, we have successfully applied MM-PB/SA technology in predicting HIV-1 RT/EFZ structure as well as the binding free energy (JACS 123, 5221-5230). The related files of EFZ were prepared by antechamber


This page is maintained by Junmei Wang (jwang@encysive.com).

(Last updated on August 17 2006)