LiS Chemical Informatics

This site distributes open source chemical informatics tools developed by Gerald Lushington (principal consultant at LiS Consulting). Software from this site may be used freely and revised as is useful, with the proviso that credit be given in the form of citation or link back to http://gerrylushington.users.sourceforge.net/.

The latest tool deposited here (see Code directory) is designed to graphically render (in PyMol) spatial affinity trends derived from molecular docking simulations. Additional tools will be deposited here as time permits.

About the developer: Gerald Lushington is a computational scientist with primary interests in chemical informatics, structural biology, drug discovery and molecular modeling. He performs fee-for-service consulting in these areas, as well as data mining and technical writing.