Computer simulations of membrane proteins

被引：196
作者：
Ash, WL [1 ]
Zlomislic, MR [1 ]
Oloo, EO [1 ]
Tieleman, DP [1 ]
机构：
[1] Univ Calgary, Dept Biol Sci, Calgary, AB T2N 1N4, Canada
来源：
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES | 2004年 / 1666卷 / 1-2期
基金：
加拿大健康研究院;
关键词：
molecular dynamics simulation; ion channel; helix-helix interaction; antimicrobial peptide; bilayer structure; outer membrane protein; aquaporin;
D O I：
10.1016/j.bbamem.2004.04.012
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
Computer simulations are rapidly becoming a standard tool to study the structure and dynamics of lipids and membrane proteins. Increasing computer capacity allows unbiased simulations of lipid and membrane-active peptides. With the increasing number of highresolution structures of membrane proteins, which also enables homology modelling of more structures, a wide range of membrane proteins can now be simulated over time spans that capture essential biological processes. Longer time scales are accessible by special computational methods. We review recent progress in simulations of membrane proteins. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码：158 / 189
页数：32
相关论文
共 335 条
  • [11] On the conformation of the COOH-terminal domain of the large mechanosensitive channel MscL
    Anishkin, A
    Gendel, V
    Sharifi, NA
    Chiang, CS
    Shirinian, L
    Guy, HR
    Sukharev, S
    [J]. JOURNAL OF GENERAL PHYSIOLOGY, 2003, 121 (03) : 227 - 244
  • [12] The unbinding of ATP from F1-ATPase
    Antes, I
    Chandler, D
    Wang, HY
    Oster, G
    [J]. BIOPHYSICAL JOURNAL, 2003, 85 (02) : 695 - 706
  • [13] Bridging microscopic and mesoscopic simulations of lipid bilayers
    Ayton, G
    Voth, GA
    [J]. BIOPHYSICAL JOURNAL, 2002, 83 (06) : 3357 - 3370
  • [14] Interfacing molecular dynamics and macro-scale simulations for lipid bilayer vesicles
    Ayton, G
    Smondyrev, AM
    Bardenhagen, SG
    McMurtry, P
    Voth, GA
    [J]. BIOPHYSICAL JOURNAL, 2002, 83 (02) : 1026 - 1038
  • [15] A molecular dynamics investigation of mono and dimeric states of the outer membrane enzyme OMPLA
    Baaden, M
    Meier, C
    Sansom, MSP
    [J]. JOURNAL OF MOLECULAR BIOLOGY, 2003, 331 (01) : 177 - 189
  • [16] Molecular dynamics study of a lipid-DNA complex
    Bandyopadhyay, S
    Tarek, M
    Klein, ML
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (46): : 10075 - 10080
  • [17] The structures of BtuCD and MscS and their implications for transporter and channel function
    Bass, RB
    Locher, KP
    Borths, E
    Poon, Y
    Strop, P
    Lee, A
    Rees, DC
    [J]. FEBS LETTERS, 2003, 555 (01) : 111 - 115
  • [18] Molecular dynamics study of bacteriorhodopsin and the purple membrane
    Baudry, J
    Tajkhorshid, E
    Molnar, F
    Phillips, J
    Schulten, K
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (05) : 905 - 918
  • [19] Structure and functions of channel-forming peptides: Magainins, cecropins, melittin and alamethicin
    Bechinger, B
    [J]. JOURNAL OF MEMBRANE BIOLOGY, 1997, 156 (03) : 197 - 211
  • [20] Ion channel gating: insights via molecular simulations
    Beckstein, O
    Biggin, PC
    Bond, P
    Bright, JN
    Domene, C
    Grottesi, A
    Holyoake, J
    Sansom, MSP
    [J]. FEBS LETTERS, 2003, 555 (01) : 85 - 90
12345678910