Article
Knowledge-based potential for the polypeptide backbone.
The journal of physical chemistry. B - 24 Apr 2008
Betancourt Marcos R
Abstract excerpt
A knowledge-based potential for the polypeptide backbone as a function of the dihedral angles is developed and tested. The potential includes correlations due to the conformations and compositions of adjacent residues. Its purpose is to serve as a major component of a coarse-grained protein potential by including the most relevant local interactions while averaging out nonbonded ones. A probability density...
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