Michael F Hagan
Michael F Hagan
I present a review of the theoretical and computational methodologies that have been used to model the assembly of viral capsids. I discuss the capabilities and limitations of approaches ranging from equilibrium continuum theories to molecu...
Elizabeth A Ploetz,Paul E Smith
Elizabeth A Ploetz
Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics [0.03%]
自引导兰格vin动力学综述：规范集合中生物分子体系的有效无偏采样
Xiongwu Wu,Ana Damjanovic,Bernard R Brooks
Xiongwu Wu
This review provides a comprehensive description of the self-guided Langevin dynamics (SGLD) and the self-guided molecular dynamics (SGMD) methods and their applications. Example systems are included to provide guidance on optimal applicati...