A memetic algorithm enables efficient local and global all-atom protein-protein docking with backbone and side-chain flexibility.

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第一作者： Daniel,Varela

第一单位： Division of Biochemistry and Structural Biology, Department of Chemistry, Lund University, 22100 Lund, Sweden.

作者： Daniel,Varela ^[1] ; Vera,Karlin ^[1] ; Ingemar,André ^[2]

作者单位： Division of Biochemistry and Structural Biology, Department of Chemistry, Lund University, 22100 Lund, Sweden. ^[1] Division of Biochemistry and Structural Biology, Department of Chemistry, Lund University, 22100 Lund, Sweden. Electronic address: ingemar.andre@biochemistry.lu.se. ^[2]

关键词 backbone flexibility global docking memetic algorithm protein docking protein-protein complexes side-chain flexibility

主题词模型, 分子(Models, Molecular);算法(Algorithms);蛋白质类(Proteins);蒙特卡罗法(Monte Carlo Method);分子构象(Molecular Conformation);蛋白质构象(Protein Conformation)

DOI 10.1016/j.str.2022.09.005

PMID 36265485

发布时间 2022-12-01

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