论文标题
蛋白质侧链定位问题的和平人 - 拉赫福德分裂方法
A Peaceman-Rachford Splitting Method for the Protein Side-Chain Positioning Problem
论文作者
论文摘要
我们制定了蛋白质侧链定位（SCP）问题的双重不负（DNN）松弛。我们继承了变量的自然分裂，该变量源于半决赛松弛中的面部还原技术。我们使用Peaceman-Rachford分裂方法的变体来解决松弛。我们的数值实验表明，我们将NP-HARD SCP问题的几乎所有实例求解到最佳性。
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.
