Prospective evaluation of shape similarity based pose prediction method in D3R Grand Challenge 2015

被引:0
|
作者
Ashutosh Kumar
Kam Y. J. Zhang
机构
[1] RIKEN,Structural Bioinformatics Team, Center for Life Science Technologies
关键词
Shape similarity; Pose prediction; Molecular docking; Virtual screening; D3R Grand Challenge 2015;
D O I
暂无
中图分类号
学科分类号
摘要
引用
下载
收藏
页码:685 / 693
页数:8
相关论文
共 50 条
  • [1] Prospective evaluation of shape similarity based pose prediction method in D3R Grand Challenge 2015
    Kumar, Ashutosh
    Zhang, Kam Y. J.
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2016, 30 (09) : 685 - 693
  • [2] Shape similarity guided pose prediction: lessons from D3R Grand Challenge 3
    Kumar, Ashutosh
    Zhang, Kam Y. J.
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 33 (01) : 47 - 59
  • [3] Shape similarity guided pose prediction: lessons from D3R Grand Challenge 3
    Ashutosh Kumar
    Kam Y. J. Zhang
    Journal of Computer-Aided Molecular Design, 2019, 33 : 47 - 59
  • [4] D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions
    Symon Gathiaka
    Shuai Liu
    Michael Chiu
    Huanwang Yang
    Jeanne A. Stuckey
    You Na Kang
    Jim Delproposto
    Ginger Kubish
    James B. Dunbar
    Heather A. Carlson
    Stephen K. Burley
    W. Patrick Walters
    Rommie E. Amaro
    Victoria A. Feher
    Michael K. Gilson
    Journal of Computer-Aided Molecular Design, 2016, 30 : 651 - 668
  • [5] Docking pose selection by interaction pattern graph similarity: application to the D3R grand challenge 2015
    Slynko, Inna
    Da Silva, Franck
    Bret, Guillaume
    Rognan, Didier
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2016, 30 (09) : 669 - 683
  • [6] Docking pose selection by interaction pattern graph similarity: application to the D3R grand challenge 2015
    Inna Slynko
    Franck Da Silva
    Guillaume Bret
    Didier Rognan
    Journal of Computer-Aided Molecular Design, 2016, 30 : 669 - 683
  • [7] D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions
    Gathiaka, Symon
    Liu, Shuai
    Chiu, Michael
    Yang, Huanwang
    Stuckey, Jeanne A.
    Kang, You Na
    Delproposto, Jim
    Kubish, Ginger
    Dunbar, James B., Jr.
    Carlson, Heather A.
    Burley, Stephen K.
    Walters, W. Patrick
    Amaro, Rommie E.
    Feher, Victoria A.
    Gilson, Michael K.
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2016, 30 (09) : 651 - 668
  • [8] Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016
    Fradera, Xavier
    Verras, Andreas
    Hu, Yuan
    Wang, Deping
    Wang, Hongwu
    Fells, James I.
    Armacost, Kira A.
    Crespo, Alejandro
    Sherborne, Brad
    Wang, Huijun
    Peng, Zhengwei
    Gao, Ying-Duo
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2018, 32 (01) : 113 - 127
  • [9] Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016
    Xavier Fradera
    Andreas Verras
    Yuan Hu
    Deping Wang
    Hongwu Wang
    James I. Fells
    Kira A. Armacost
    Alejandro Crespo
    Brad Sherborne
    Huijun Wang
    Zhengwei Peng
    Ying-Duo Gao
    Journal of Computer-Aided Molecular Design, 2018, 32 : 113 - 127
  • [10] CDOCKER and λ-dynamics for prospective prediction in D3R Grand Challenge 2
    Ding, Xinqiang
    Hayes, Ryan L.
    Vilseck, Jonah Z.
    Charles, Murchtricia K.
    Brooks, Charles L., III
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2018, 32 (01) : 89 - 102