| Literature DB >> 27131531 |
Gary A Huber1, Yinglong Miao1, Shenggao Zhou2, Bo Li3, J Andrew McCammon4.
Abstract
Diffusion is often the rate-determining step in many biological processes. Currently, the two main computational methods for studying diffusion are stochastic methods, such as Brownian dynamics, and continuum methods, such as the finite element method. A previous study introduced a new hybrid diffusion method that couples the strengths of each of these two methods, but was limited by the lack of interactions among the particles; the force on each particle had to be from an external field. This study further develops the method to allow charged particles. The method is derived for a general multidimensional system and is presented using a basic test case for a one-dimensional linear system with one charged species and a radially symmetric system with three charged species.Year: 2016 PMID: 27131531 PMCID: PMC4851620 DOI: 10.1063/1.4947086
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488