UNIVERSITY OF FLORIDA RESEARCH FOUNDATION ,INC. - Gainesville FL
International Classification:
G06G 7/48
US Classification:
703 11
Abstract:
Using NMRScore to generate an RMSD and evaluating whether the RMSD is below 1 ppm, in order to indicate that a docking software generated pose is a good match with the experimental assessment of a paradigm protein target and paradigm ligand, and therefore that the pose will be useful and accurate for the same target and similar ligands, or similar targets and the same ligands.