Abstract:Abstract-Accurate protein loop structure models are important to understand functions of many proteins. One of the main problems in correctly modeling protein loop structures is sampling the large loop backbone conformation space, particularly when the loop is long. In this paper, we present a GPU-accelerated loop backbone structure modeling approach by sampling multiple scoring functions based on pair-wise atom distance, torsion angles of triplet residues, or soft-sphere van der Waals potential. The sampling … Show more
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