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arXiv · 2009.01450

A Peaceman-Rachford Splitting Method for the Protein Side-Chain Positioning Problem

Forbes Burkowski·Jiyoung Im·Henry Wolkowicz
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Abstract

We formulate a doubly nonnegative (DNN) relaxation of the protein side-chain positioning (SCP) problem. We inherit the natural splitting of variables that stems from the facial reduction technique in the semidefinite relaxation. We solve the relaxation using a variant of the Peaceman-Rachford splitting method. Our numerical experiments show that we solve almost all instances of the NP-hard SCP problem to optimality.

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Forbes Burkowski, Jiyoung Im, Henry Wolkowicz. 2020-09-03. A Peaceman-Rachford Splitting Method for the Protein Side-Chain Positioning Problem. https://arxiv.org/abs/2009.01450

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