The assessment of computationally derived protein ensembles in protein-ligand docking

被引:0
|
作者
Barbara Sander
Oliver Korb
Jason Cole
Jonathan W Essex
机构
[1] University of Southampton,School of Chemistry
[2] Cambridge Crystallographic Data Centre,undefined
关键词
Virtual Screening; Protein Conformation; Simulation Trajectory; Docking Programme; Docking Experiment;
D O I
10.1186/1758-2946-4-S1-P34
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [1] How to pick a winning team: Assessment of computationally derived protein ensembles in protein-ligand docking
    Sander, Barbara
    Korb, Oliver
    Cole, Jason C.
    Essex, Jonathan W.
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244
  • [2] Protein-ligand docking
    Bottegoni, Giovanni
    [J]. FRONTIERS IN BIOSCIENCE-LANDMARK, 2011, 16 : 2289 - 2306
  • [3] Evaluation of docking functions for protein-ligand docking
    Pérez, C
    Ortiz, AR
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 2001, 44 (23) : 3768 - 3785
  • [4] Protein-Ligand Docking Based on β-shape
    Kim, Chong-Min
    Won, Chung-In
    Ryu, Joonghyun
    Kim, Jae-Kwan
    Bhak, Jong
    Kim, Deok-Soo
    [J]. 2009 6TH INTERNATIONAL SYMPOSIUM ON VORONOI DIAGRAMS (ISVD 2009), 2009, : 245 - +
  • [5] Advances and Challenges in Protein-Ligand Docking
    Huang, Sheng-You
    Zou, Xiaoqin
    [J]. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2010, 11 (08) : 3016 - 3034
  • [6] The influence of protonation in protein-ligand docking
    ten T Brink
    TE Exner
    [J]. Chemistry Central Journal, 2 (Suppl 1)
  • [7] Scoring functions for protein-ligand docking
    Jain, Ajay N.
    [J]. CURRENT PROTEIN & PEPTIDE SCIENCE, 2006, 7 (05) : 407 - 420
  • [8] A Computationally Designed Protein-Ligand Interaction is Mechanically Robust
    Van Pattten, William J.
    Walder, Robert
    Adhikari, Ayush
    Ravichandran, Rashmi
    Tinberg, Christine E.
    Baker, David
    Perkins, Thomas T.
    [J]. BIOPHYSICAL JOURNAL, 2017, 112 (03) : 455A - 455A
  • [9] Flexible Refinement of Protein-Ligand Docking on Manifolds
    Mirzaei, Hanieh
    Villar, Elizabeth
    Mottarella, Scott
    Beglov, Dmitri
    Paschalidis, Ioannis Ch.
    Vajda, Sandor
    Kozakov, Dima
    Vakili, Pirooz
    [J]. 2013 IEEE 52ND ANNUAL CONFERENCE ON DECISION AND CONTROL (CDC), 2013, : 1392 - 1397
  • [10] Improved protein-ligand docking using GOLD
    Verdonk, ML
    Cole, JC
    Hartshorn, MJ
    Murray, CW
    Taylor, RD
    [J]. PROTEINS-STRUCTURE FUNCTION AND GENETICS, 2003, 52 (04): : 609 - 623