用复杂网络的方法研究加权构象空间的拓扑性质.pdfVIP

Study on topological properties of weighted conformation space using complex network Zai Zhi LAI1†, Ji Guo SU1,2†, Wei Zu CHEN1 and Cun Xin WANG1,* 1 College of Life Science and Bioengineering, Beijing University of Technology, Beijing, 100022, China 2 College of Science, Yanshan University, Qinhuangdao, 066004, China † Z. Z. LAI and J. G. SU are both first authors * Correspond author: cxwang@; Tel: 86-10 Abstract. - The conformation space generated by a short two-dimensional lattice chain is mapped to a network. The conformations are the vertices of the network and the transitions between them are links. It has been found that this network has the “small-world” properties without considering the interaction energy of the monomer. To illustrate the influence of the interaction energy on the property of the conformation space network, the hydrophobic-polar lattice model was adopted and a method of weighting was proposed to study this network. When the weight based on the interaction energy of the monomer is added to the network, it is found that the weighted network shows the “scale-free” property. The result indicates that the weight is important for the topology of the conformation space network. Keywords: complex networks, conformation space 1. Introduction research potential energy minima of small