The influence of protonation in protein-ligand docking

被引:0
|
作者
ten T Brink
TE Exner
机构
[1] Universität Konstanz,Theoretische Chemische Dynamik, Fachbereich Chemie
关键词
Gold; Hydrogen Bond; Hydrogen Atom; Standard Setting; Virtual Screening;
D O I
10.1186/1752-153X-2-S1-P12
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [41] Predicting the Accuracy of Protein-Ligand Docking on Homology Models
    Bordogna, Annalisa
    Pandini, Alessandro
    Bonati, Laura
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 32 (01) : 81 - 98
  • [42] Protein-ligand docking with HADDOCK: The effects of input protein conformational differences on the success of docking
    Reinke, Kyle
    Grinstead, Jeffrey
    Bonvin, Alexandre
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
  • [43] A Novel Fireworks Algorithm for the Protein-Ligand Docking on the AutoDock
    Liu, Zhuoran
    Jiang, Dingde
    Zhang, Changsheng
    Zhao, Haitong
    Zhao, Qidong
    Zhang, Bin
    MOBILE NETWORKS & APPLICATIONS, 2021, 26 (02): : 657 - 668
  • [44] Two-stage method for protein-ligand docking
    Hoffmann, D
    Kramer, B
    Washio, T
    Steinmetzer, T
    Rarey, M
    Lengauer, T
    JOURNAL OF MEDICINAL CHEMISTRY, 1999, 42 (21) : 4422 - 4433
  • [45] CRDOCK: An Ultrafast Multipurpose Protein-Ligand Docking Tool
    Cortes Cabrera, Alvaro
    Klett, Javier
    Dos Santos, Helena G.
    Perona, Almudena
    Gil-Redondo, Ruben
    Francis, Sandrea M.
    Priego, Eva M.
    Gago, Federico
    Morreale, Antonio
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2012, 52 (08) : 2300 - 2309
  • [46] Benchmarking the HADDOCK solvated protocol for protein-ligand docking
    Ramsing, Annin F.
    Bonvin, Alexandre M. J. J.
    Grinstead, Jeffrey S.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247
  • [47] Protein-Ligand Docking in the Machine-Learning Era
    Yang, Chao
    Chen, Eric Anthony
    Zhang, Yingkai
    MOLECULES, 2022, 27 (14):
  • [48] GalaxyDock: Protein-Ligand Docking with Flexible Protein Side-chains
    Shin, Woong-Hee
    Seok, Chaok
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2012, 52 (12) : 3225 - 3232
  • [49] Protein-Ligand Docking against Non-Native Protein Conformers
    Verdonk, Marcel L.
    Mortenson, Paul N.
    Hall, Richard J.
    Hartshorn, Michael J.
    Murray, Christopher W.
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2008, 48 (11) : 2214 - 2225
  • [50] AQDnet: Deep Neural Network for Protein-Ligand Docking Simulation
    Shiota, Koji
    Suma, Akira
    Ogawa, Hiroyuki
    Yamaguchi, Takuya
    Iida, Akio
    Hata, Takahiro
    Matsushita, Mutsuyoshi
    Akutsu, Tatsuya
    Tateno, Masaru
    ACS OMEGA, 2023, 8 (26): : 23925 - 23935