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Self-Avoiding Conformational Sampling Based on Histories of Past Conformational Searches

Harada, R; Shigeta, Y

Harada, R; Shigeta, Y (reprint author), Univ Tsukuba, Ctr Computat Sci, 1-1-1 Tennodai, Tsukuba, Ibaraki 3058577, Japan.

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017; 57 (12): 3070

Abstract

Self-avoiding conformational sampling (SACS) is proposed as an enhanced conformational sampling method for proteins. In SACS, the following conformati......

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