位形空间网络拓扑结构的揭示
Uncovering the topology of configuration space networks
摘要：
动态系统的位形空间网络（CSN）是一种有效的方法来表示在模拟过程中采样的位形集合及其动态连接。为了阐明CSN拓扑与控制系统动力学和热力学的自由能景观之间的联系，给出了一个解析解来解释度分布、近邻连通性和聚类系数的厚尾现象.这种推导允许理解从简单的二次井到beta3s肽的天然状态和2D晶格杂聚物的系统中观察到的通用CSN网络拓扑结构。此外，CSN被证明属于一般类的复杂网络描述的适应度模型。
英文摘要：
The configuration space network (CSN) of a dynamical system is an effective approach to represent the ensemble of configurations sampled during a simulation and their dynamic connectivity. To elucidate the connection between the CSN topology and the underlying free-energy landscape governing the system dynamics and thermodynamics, an analytical soluti on is provided to explain the heavy tail of the degree distribution, neighbor co nnectivity and clustering coefficient. This derivation allows to understand the universal CSN network topology observed in systems ranging from a simple quadratic well to the native state of the beta3s peptide and a 2D lattice heteropolymer. Moreover CSN are shown to fall in the general class of complex networks describe d by the fitness model.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
