Bendix: intuitive helix geometry analysis and abstraction

被引:104
作者
Dahl, Anna Caroline E. [1 ]
Chavent, Matthieu [1 ]
Sansom, Mark S. P. [1 ]
机构
[1] Univ Oxford, Dept Biochem, Oxford OX1 3QU, England
基金
英国惠康基金; 英国工程与自然科学研究理事会;
关键词
MOLECULAR-DYNAMICS; PROTEINS;
D O I
10.1093/bioinformatics/bts357
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The flexibility of alpha-helices is important for membrane protein function and calls for better visualization and analysis. Software is presented that quantifies and projects the helix axis evolution over time, with the choice of uniform or analytic heatmap graphics according to the local geometry. Bendix supports static, molecular dynamics, atomistic and coarse-grained input.
引用
收藏
页码:2193 / 2194
页数:2
相关论文
共 13 条
[1]   Straightening and sequential buckling of the pore-lining helices define the gating cycle of MscS [J].
Akitake, Bradley ;
Anishkin, Andriy ;
Liu, Naili ;
Sukharev, Sergei .
NATURE STRUCTURAL & MOLECULAR BIOLOGY, 2007, 14 (12) :1141-1149
[2]   HELANAL: A program to characterize helix geometry in proteins [J].
Bansal, M ;
Kumar, S ;
Velavan, R .
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2000, 17 (05) :811-819
[3]   Structural mimicry of proline kinks: Tertiary packing interactions support local structural distortions [J].
Ceruso, MA ;
Weinstein, H .
JOURNAL OF MOLECULAR BIOLOGY, 2002, 318 (05) :1237-1249
[4]   Calculation of helix packing angles in protein structures [J].
Dalton, JAR ;
Michalopoulos, I ;
Westhead, DR .
BIOINFORMATICS, 2003, 19 (10) :1298-1299
[5]   Visualization software for molecular assemblies [J].
Goddard, Thomas D. ;
Ferrin, Thomas E. .
CURRENT OPINION IN STRUCTURAL BIOLOGY, 2007, 17 (05) :587-595
[6]   VMD: Visual molecular dynamics [J].
Humphrey, W ;
Dalke, A ;
Schulten, K .
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1996, 14 (01) :33-38
[7]   The open pore conformation of potassium channels [J].
Jiang, YX ;
Lee, A ;
Chen, JY ;
Cadene, M ;
Chait, BT ;
MacKinnon, R .
NATURE, 2002, 417 (6888) :523-526
[8]   TRAJELIX: A computational tool for the geometric characterization of protein helices during molecular dynamics simulations [J].
Mezei, M ;
Filizola, M .
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2006, 20 (02) :97-107
[9]   The MARTINI coarse-grained force field: Extension to proteins [J].
Monticelli, Luca ;
Kandasamy, Senthil K. ;
Periole, Xavier ;
Larson, Ronald G. ;
Tieleman, D. Peter ;
Marrink, Siewert-Jan .
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2008, 4 (05) :819-834
[10]  
Sansom MSP, 2000, TRENDS PHARMACOL SCI, V21, P445