D3R 2015 and 2016 challenges: Evaluation of predictions for the grand and mini challenges

被引：0
|
作者：
Gathiaka, Symon [2 ,4 ]
Chiu, Michael [2 ,4 ]
Grethe, Jeff [2 ,4 ]
Liu, Shuai [2 ,4 ]
Yang, Huangwang [2 ,3 ]
Burley, Stephen [2 ,3 ]
Amaro, Rommie [1 ,2 ]
Feher, Victoria [2 ,4 ]
机构：
[1] Univ Calif San Diego, Chem & Biochem, San Clemente, CA USA
[2] Univ Calif San Diego, Drug Design Data Resource, San Diego, CA USA
[3] Rutgers State Univ, RCSB PDB, Piscataway, NJ USA
[4] Univ Calif San Diego, Ctr Res Biol Struct, San Diego, CA USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2016年 / 252卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
260
引用
收藏
页数：2
相关论文
共 50 条
  • [21] 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
  • [22] 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
  • [23] 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
  • [24] 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
  • [25] Interaction with specific HSP90 residues as a scoring function: validation in the D3R Grand Challenge 2015
    Santos-Martins, Diogo
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2016, 30 (09) : 731 - 742
  • [26] MathDL: mathematical deep learning for D3R Grand Challenge 4
    Duc Duy Nguyen
    Gao, Kaifu
    Wang, Menglun
    Wei, Guo-Wei
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020, 34 (02) : 131 - 147
  • [27] Interaction with specific HSP90 residues as a scoring function: validation in the D3R Grand Challenge 2015
    Diogo Santos-Martins
    Journal of Computer-Aided Molecular Design, 2016, 30 : 731 - 742
  • [28] Grand Challenges in Chemistry for 2016 and Beyond
    Bertozzi, Carolyn R.
    Chang, Christopher J.
    Davis, Benjamin G.
    de la Cruz, Monica Olvera
    Tirrell, David A.
    Zhao, Dongyuan
    ACS CENTRAL SCIENCE, 2016, 2 (01) : 1 - 3
  • [29] Benchmarking ensemble docking methods in D3R Grand Challenge 4
    Jessie Low Gan
    Dhruv Kumar
    Cynthia Chen
    Bryn C. Taylor
    Benjamin R. Jagger
    Rommie E. Amaro
    Christopher T. Lee
    Journal of Computer-Aided Molecular Design, 2022, 36 : 87 - 99
  • [30] Electromicrobiology: realities, grand challenges, goals and predictions
    Nealson, Kenneth H.
    Rowe, Annette R.
    MICROBIAL BIOTECHNOLOGY, 2016, 9 (05): : 595 - 600
12345