Friday, 21 October 2011

Computational Chemistry Links

Hi this is my next good one for you

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.


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