Gallery of Biomolecule Simulations
HIV protease with inhibitor bound. The inhibitor is from the cyclic urea
family, and is typical of most HIV inhibitors in that molecular dynamics
simulations were used in its discovery.
- Hodge, C.N., T.P. Straatsma, J.A. McCammon, and A. Wlodawer.
Rational Design of HIV Protease Inhibitors. In Structural
Biology of Viruses, W. Chiu, R.M. Burnett, and R. Garcea, eds., Oxford
Univ. Press, pp. 451-473 (1997).
- PDB code:
McCammon Group, UCSD - http://mccammon.ucsd.edu/ -
created by Kaihsu Tai