National University of Singapore, Science Faculty, Computational Sci Dept

Graphics of DNA, proteins, and drug-bound systems:

Your Netscape browser need to have  CHIME plug-in  installed in order for you to view, rotate and play with the graphics on the left-hand side.  CHIME plug-in is free and can be downloaded from this site.  Otherwise only the GIF version on the right-hand side is viewable.

CHIME plug-in is "live"; you can use the left mouse button to move and rotate the molecule, and the right button (click and hold down the mouse button on the Macintosh) to modify properties of the plug-in. Try it!  Also Click Here For More Graphics.

CHIME Version:  GIF Version: 
A short DNA chain bound by two anticancer drugs daunomycin. DNA is composed of two chains winding into a double helix. The bulk of daunomycin is inserted into the space between base pairs.
The protein HIV-1 protease bound by an inhibitor. Such an inhibitor has been designed as anti-HIV drugs. A few of them are now in the market. This protein is used by HIV-1 virus to cut a bundle of proteins into functional individuals.
A short DNA chain bound by an antibiotic drug netropsin. DNA is composed of two chains winding into a double helix. Netropsin is bound to the minor groove of DNA.
A protein calmodulin in open (upper graph) and closed (lower graph) form. The open form is unligated and the closed form is induced by the binding of a peptide (not shown here). This protein mediates many Ca2+  regulated processes.

Click Here For More Graphics.

Computer-aided Drug Design
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