Computing potential energy of folded protein

Peter Hartmann hartmann at informatik.th-darmstadt.de
Mon Jul 21 11:29:53 EST 1997


Hi,

in a project in computer science we need to compute the potential
energy of small amino acid chains.  I am looking for a function 
that performs this computation for given locations of all alpha 
atoms as well as residues.

I will be grateful for all hints about literature and links to
where I even might find some software related to this topic.


Thanks

Peter Hartmann
Technical University of Darmstadt, Germany
hartmann at isa.informatik.th-darmstadt.de




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