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In previous works it was shown that protein 3D-conformations could be encodedinto discrete sequences called dominance partition sequences (DPS), thatgenerated a linear partition of molecular conformational space into regions ofmolecular conformations that have the same DPS. In this work we describeprocedures for building in a cubic lattice the set of 3D-conformations that arecompatible with a given DPS. Furthermore, this set can be structured as a graphupon which a combinatorial algorithm can be applied for computing the meanenergy of the conformations in a cell.

A Combinatorial Enumeration of Distances for Calculating Energy in Molecular Conformational Space