GPU-I-TASSER: a GPU accelerated I-TASSER protein structure prediction tool

Elijah A. MacCarthy, Chengxin Zhang, Yang Zhang, Dukka B. KC

Abstract: Accurate and efficient predictions of protein structures play an important role in understanding their functions. Iterative Threading Assembly Refinement (I-TASSER) is one of the most successful and widely used protein structure prediction methods in the recent community-wide CASP experiments. Yet, the computational efficiency of I-TASSER is one of the limiting factors that prevent its application for large-scale structure modeling.