Computational Chemistry Links

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Computational Chemistry Links

• CAUT Computational Chemistry project - A joint effort developing computational chemistry courses for the web
• Computational Chemistry - Automated Archive of Mailing Lists - a searchable and more comprehensive Automated Archive. The proposed entry is based on hypermail.
• GAMESS - free package which includes both semi-empirical and ab initio methods. Graphics codes are also available.
• Ligand-Protein Docking - Summarizes the latest work on docking of small molecules and drugs to biomacromolecules. Describes AutoDock, C-software freely available to the academic and educational communities.
• MacroDox Brownian Dynamics Software - Brownian dynamics software for protein-protein association written by Dr. Scott Northrup at Tennessee Tech.
• Molar Mass Calculator - provides sample online chemical calulators and tutorial information about the concept of molar mass.
• Molecular Magnetism - Contains list of researchers, recent research developments, upcoming events, postdoctoral openings, and a reference database.
• Molecular Monte Carlo Page - for scientists and engineers using Monte Carlo methods to simulate systems at the molecular level.