Implicit solvent simulation models for biomembranes

被引:121
作者
Brannigan, G
Lin, LCL
Brown, FLH [1 ]
机构
[1] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA
[2] Univ Calif Santa Barbara, Dept Phys & Astron, Santa Barbara, CA 93106 USA
来源
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS | 2006年 / 35卷 / 02期
基金
美国国家科学基金会;
关键词
D O I
10.1007/s00249-005-0013-y
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
Fully atomic simulation strategies are infeasible for the study of many processes of interest to membrane biology, biophysics and biochemistry. We review various coarse-grained simulation methodologies with special emphasis on methods and models that do not require the explicit simulation of water. Examples from our own research demonstrate that such models have potential for simulating a variety of biologically relevant phenomena at the membrane surface.
引用
收藏
页码:104 / 124
页数:21
相关论文
共 201 条
[41]   Statistical mechanics of bilayer membrane with a fixed projected area [J].
Farago, O ;
Pincus, P .
JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (06) :2934-2950
[42]   Water-free computer model for fluid bilayer membranes [J].
Farago, O .
JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (01) :596-605
[43]   A MOLECULAR-MODEL FOR LIPID-PROTEIN INTERACTION IN MEMBRANES - THE ROLE OF HYDROPHOBIC MISMATCH [J].
FATTAL, DR ;
BENSHAUL, A .
BIOPHYSICAL JOURNAL, 1993, 65 (05) :1795-1809
[44]   Recent advances in the development and application of implicit solvent models in biomolecule simulations [J].
Feig, M ;
Brooks, CL .
CURRENT OPINION IN STRUCTURAL BIOLOGY, 2004, 14 (02) :217-224
[45]   Molecular dynamics simulations of lipid bilayers [J].
Feller, SE .
CURRENT OPINION IN COLLOID & INTERFACE SCIENCE, 2000, 5 (3-4) :217-223
[46]   LIQUID-HEXATIC PHASE-TRANSITIONS IN SINGLE MOLECULAR LAYERS OF LIQUID-CRYSTAL FILMS [J].
GEER, R ;
STOEBE, T ;
HUANG, CC ;
PINDAK, R ;
GOODBY, JW ;
CHENG, M ;
HO, JT ;
HUI, SW .
NATURE, 1992, 355 (6356) :152-154
[47]  
Gennis R.B., 1989, BIOMEMBRANES MOL STR
[48]   Mobility and elasticity of self-assembled membranes [J].
Goetz, R ;
Gompper, G ;
Lipowsky, R .
PHYSICAL REVIEW LETTERS, 1999, 82 (01) :221-224
[49]   Computer simulations of bilayer membranes: Self-assembly and interfacial tension [J].
Goetz, R ;
Lipowsky, R .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (17) :7397-7409
[50]   Network models of fluid, hexatic and polymerized membranes [J].
Gompper, G ;
Kroll, DM .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1997, 9 (42) :8795-8834