Monday, February 21, 2005

A great new resource for molecular modelling

From WorldChanging:
ZINC -- which, in the free software tradition of recursive acronyms, stands for ZINC Is Not Commercial -- is a free database of compounds for "virtual screening." That is, ZINC provides 3D models of chemical compounds in a standard "docking" format used in chemistry and biochemistry software, allowing researchers to assemble and test new chemical compositions on their computers.
This is really great. When I was doing my Ph.D, I mucked around with molecular structures for docking and matching purposes, and I had accces only to structures that our collaborators at Pfizer provided us. Having such a large database to play with will really help geometry folks who do molecular modelling, not to mention all the medical researchers who probably already use this.
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