BindProfX: Assessing Mutation-Induced Binding Affinity Change by Protein Interface Profiles with Pseudo-Counts

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• 作者：Peng Xiong ; Chengxin Zhang ; Wei Zheng ; Yang Zhang ; ^{zhng@umich.edu}
• 关键词：ΔΔG ; binding free-energy change ; NIL ; non-redundant interface library ; IS score ; interface similarity score ; iPTM ; interface probability transition matrix ; iMSA ; interface multiple structural alignment ; RMSE ; root mean square error
• 刊名：Journal of Molecular Biology
• 出版年：2017
• 出版时间：3 February 2017
• 年：2017
• 卷：429
• 期：3
• 页码：426-434
• 全文大小：432 K
• 卷排序：429

文摘

Renewed interface profile approach significantly improves binding affinity accuracy. Interface profile score is complementary to physics-based potentials. Interface profiles are robust when starting with low-resolution complex structures. Profile score is robust for calculating both single- and multiple-point mutations. The approach has strong potential to be used for protein interface engineering.