GRAMM-X public web server for protein-protein docking

被引:600
作者
Tovchigrechko, Andrey
Vakser, Ilya A.
机构
[1] Univ Kansas, Ctr Bioinformat, Lawrence, KS 66047 USA
[2] Univ Kansas, Dept Mol Biosci, Lawrence, KS 66047 USA
关键词
D O I
10.1093/nar/gkl206
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
Protein docking software GRAMM-X and its web interface (http://vakser.bioinformatics.ku.edu/resources/gramm/grammx) extend the original GRAMM Fast Fourier Transformation methodology by employing smoothed potentials, refinement stage, and knowledge-based scoring. The web server frees users from complex installation of database-dependent parallel software and maintaining large hardware resources needed for protein docking simulations. Docking problems submitted to GRAMM-X server are processed by a 320 processor Linux cluster. The server was extensively tested by benchmarking, several months of public use, and participation in the CAPRI server track.
引用
收藏
页码:W310 / W314
页数:5
相关论文
共 19 条
  • [1] Modeling side-chains using molecular dynamics improve recognition of binding region in CAPRI targets
    Camacho, CJ
    [J]. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2005, 60 (02) : 245 - 251
  • [2] A protein-protein docking benchmark
    Chen, R
    Mintseris, J
    Janin, J
    Weng, ZP
    [J]. PROTEINS-STRUCTURE FUNCTION AND GENETICS, 2003, 52 (01): : 88 - 91
  • [3] ClusPro:: An automated docking and discrimination method for the prediction of protein complexes
    Comeau, SR
    Gatchell, DW
    Vajda, S
    Camacho, CJ
    [J]. BIOINFORMATICS, 2004, 20 (01) : 45 - 50
  • [4] CAPRI rounds 3-5 reveal promising successes and future challenges for RosettaDock
    Daily, MD
    Masica, D
    Sivasubramanian, A
    Somarouthu, S
    Gray, JJ
    [J]. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2005, 60 (02) : 181 - 186
  • [5] The role of geometric complementarity in secondary structure packing: A systematic docking study
    Jiang, SL
    Tovchigrechko, A
    Vakser, IA
    [J]. PROTEIN SCIENCE, 2003, 12 (08) : 1646 - 1651
  • [6] MOLECULAR-SURFACE RECOGNITION - DETERMINATION OF GEOMETRIC FIT BETWEEN PROTEINS AND THEIR LIGANDS BY CORRELATION TECHNIQUES
    KATCHALSKIKATZIR, E
    SHARIV, I
    EISENSTEIN, M
    FRIESEM, AA
    AFLALO, C
    VAKSER, IA
    [J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1992, 89 (06) : 2195 - 2199
  • [7] Protein docking using continuum electrostatics and geometric fit
    Mandell, JG
    Roberts, VA
    Pique, ME
    Kotlovyi, V
    Mitchell, JC
    Nelson, E
    Tsigelny, I
    Ten Eyck, LF
    [J]. PROTEIN ENGINEERING, 2001, 14 (02): : 105 - 113
  • [8] Marshall Garland R., 2005, V3, P115, DOI 10.1007/0-387-24532-4_6
  • [9] Schäfer H, 1999, J COMPUT CHEM, V20, P1604, DOI 10.1002/(SICI)1096-987X(19991130)20:15<1604::AID-JCC2>3.0.CO
  • [10] 2-A