Strategies of Weighting Distance for Clustering Protein Structures Based on Energy
Qian Pei-de · Jisuanji gongcheng · 2010
The structure metrics such as Root Mean Square Deviation(RMSD),TM-score,and GDT-TS etc.reflect only distance instead of energies difference between any decoys.This paper calculates difference of energies for any pair of decoys,modifies the similarity matrix with the differences,and clusters decoys with these similarity matrices respectively.Experimental results on 13 decoys sets show that the strategies of weighting similarity based on energies for clustering protein structures can improve the performance of clustering.