Center for Molecular Modeling - http://cmm.cit.nih.gov/
Part of the Division of Computational Bioscience (DCB/CIT) of the National Institutes of Health. Research involves the development and application of theoretical and computational methodologies. |
Classical Molecular Mechanics - http://www.eastchem.ac.uk/rcf/docs/molmech.pdf
Article discussing this approach that effectively treats molecules as sets of spheres bound together by springs. |