improvementsincontinuummodelingforbiomolecularsystems

	improvementsincontinuummodelingforbiomolecularsystems
	Qiao Yu; Lu Benzhuo
	2016
发表期刊	chinesephysicsb
ISSN	1674-1056
卷号	25 期号:1
摘要	Modeling of biomolecular systems plays an essential role in understanding biological processes, such as ionic flow across channels, protein modification or interaction, and cell signaling. The continuum model described by the Poisson-Boltzmann (PB)/Poisson-Nernst-Planck (PNP) equations has made great contributions towards simulation of these processes. However, the model has shortcomings in its commonly used form and cannot capture (or cannot accurately capture) some important physical properties of the biological systems. Considerable efforts have been made to improve the continuum model to account for discrete particle interactions and to make progress in numerical methods to provide accurate and efficient simulations. This review will summarize recent main improvements in continuum modeling for biomolecular systems, with focus on the size-modified models, the coupling of the classical density functional theory and the PNP equations, the coupling of polar and nonpolar interactions, and numerical progress.
语种	英语
资助项目	[National Natural Science Foundation of China] ; [Chinese Academy of Sciences Program for Cross & Cooperative Team of the Science & Technology Innovation]
文献类型	期刊论文
条目标识符	http://ir.amss.ac.cn/handle/2S8OKBNM/37994
专题	计算数学与科学工程计算研究所
作者单位	中国科学院数学与系统科学研究院
推荐引用方式 GB/T 7714	Qiao Yu,Lu Benzhuo. improvementsincontinuummodelingforbiomolecularsystems[J]. chinesephysicsb,2016,25(1).
APA	Qiao Yu,&Lu Benzhuo.(2016).improvementsincontinuummodelingforbiomolecularsystems.chinesephysicsb,25(1).
MLA	Qiao Yu,et al."improvementsincontinuummodelingforbiomolecularsystems".chinesephysicsb 25.1(2016).