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Molecular Mechanics
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  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.

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