Learning Correlations between Internal Coordinates to Improve 3D Cartesian Coordinates for Proteins.
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DOI: 10.1021/acs.jctc.2c01270
Abstract: We consider a generic representation problem of internal coordinates (bond lengths, valence angles, and dihedral angles) and their transformation to 3-dimensional Cartesian coordinates of a biomolecule. We show that the internal-to-Cartesian process relies on correctly… read more here.
Keywords: correlations internal; internal coordinates; cartesian coordinates; learning correlations ... See more keywords