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in Operations Research at UNC has been

By Bala Krishnamoorthy and Working Alex Tropsha


(4B) statistical pseudo-potentials for scoring protein conformations. Motivation: Most scoring functions used in protein fold recognition employ twobody (pseudo) potential energies. The use of higher-order terms may improve the performance of current algorithms. Methods: Proteins are represented by points in 3D space located at the residue sidechain centers. The Delaunay tessellation of this representation provides non-overlapping aggregates of four-body nearest neighbor clusters. The frequencies of occurrence of these residue clusters in a training data set o

Year: 2003
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