Quantum intelligence on protein folding pathways  

作　　者：Wen-Wen Mao Li-Hua Lv Yong-Yun Ji You-Quan Li 毛雯雯;吕丽花;季永运;李有泉(Zhejiang Province Key Laboratory of Quantum Technology&Device and Department of Physics,Zhejiang University,Hangzhou 310027,China;Department of Physics,Wenzhou University,Wenzhou 325035,China;Collaberative Innovation Center of Advance Microstructure,Nanjing University,Nanjing 210008,China)

机构地区：[1]Zhejiang Province Key Laboratory of Quantum Technology&Device and Department of Physics,Zhejiang University,Hangzhou 310027,China [2]Department of Physics,Wenzhou University,Wenzhou 325035,China [3]Collaberative Innovation Center of Advance Microstructure,Nanjing University,Nanjing 210008,China

出　　处：《Chinese Physics B》2020年第1期107-112,共6页中国物理B（英文版）

基　　金：Project supported by the National Key Research and Development Program of China(Grant No.2017YFA0304304);the National Natural Science Foundation of China(Grant No.11935012)

摘　　要：We study the protein folding problem on the base of our quantum approach by considering the model of protein chain with nine amino-acid residues.We introduce the concept of distance space and its projections on a XY-plane,and two characteristic quantities,one is called compactness of protein structure and another is called probability ratio involving shortest path.The concept of shortest path enables us to reduce the 388×388 density matrix to a 2×2 one from which the von Neumann entropy reflecting certain quantum coherence feature is naturally defined.We observe the time evolution of average distance and compactness solved from the classical random walk and quantum walk,we also compare the features of the time-dependence of Shannon entropy and von Neumann entropy.All the results not only reveal the fast quantum folding time but also unveil the existence of quantum intelligence hidden behind in choosing protein folding pathways.We study the protein folding problem on the base of our quantum approach by considering the model of protein chain with nine amino-acid residues. We introduce the concept of distance space and its projections on a XY-plane, and two characteristic quantities, one is called compactness of protein structure and another is called probability ratio involving shortest path. The concept of shortest path enables us to reduce the 388 × 388 density matrix to a 2 × 2 one from which the von Neumann entropy reflecting certain quantum coherence feature is naturally defined. We observe the time evolution of average distance and compactness solved from the classical random walk and quantum walk, we also compare the features of the time-dependence of Shannon entropy and von Neumann entropy. All the results not only reveal the fast quantum folding time but also unveil the existence of quantum intelligence hidden behind in choosing protein folding pathways.

关 键 词：protein folding quantum walk shortest pathways mean first passage time 

分 类 号：O413[理学—理论物理] Q51[理学—物理]