Acceleration of high-throughput molecular docking for novel drug discovery on supercomputers

被引：0
|
作者：
Ellingson, Sally R. [1 ,3 ]
Smith, Jeremy C. [2 ,3 ]
Baudry, Jerome [2 ,3 ]
机构：
[1] Univ Tennessee, Dept Genome Sci & Technol, Knoxville, TN 37996 USA
[2] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA
[3] Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 37830 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2013年 / 245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：
335-COMP
引用
收藏
页数：1
相关论文
共 50 条
  • [1] High-throughput molecular docking for lead discovery.
    Joseph-McCarthy, D
    Alvarez, JC
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 228 : U365 - U365
  • [2] Multireceptor high-throughput virtual docking on supercomputers with VinaMPI
    Ellingson, Sally R.
    Baudry, Jerome
    Smith, Jeremy C.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
  • [3] Contribution of high-throughput docking to the drug discovery process.
    Vangrevelinghe, E
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U773 - U773
  • [4] High-throughput docking as a source of novel drug leads
    Alvarez, JC
    CURRENT OPINION IN CHEMICAL BIOLOGY, 2004, 8 (04) : 365 - 370
  • [5] High-Throughput drug discovery of novel inhibitors of secretion.
    Satoh, A.
    Suzuki, H.
    Honjo, Y.
    Nishina, Y.
    MOLECULAR BIOLOGY OF THE CELL, 2014, 25
  • [6] High-throughput kinetics in drug discovery
    Pinto, Maria Filipa
    Sirina, Julija
    Holliday, Nicholas D.
    Mcwhirter, Claire L.
    SLAS DISCOVERY, 2024, 29 (05)
  • [7] High-throughput screening for drug discovery
    Broach, JR
    Thorner, J
    NATURE, 1996, 384 (6604) : 14 - 16
  • [8] Recent In Silico Research in High-Throughput Drug Discovery and Molecular Biochemistry
    Zhang, Jian
    Chai, Haiting
    CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2019, 19 (02) : 103 - 104
  • [9] High-throughput molecular dynamics: the powerful new tool for drug discovery
    Harvey, Matthew J.
    De Fabritiis, Gianni
    DRUG DISCOVERY TODAY, 2012, 17 (19-20) : 1059 - 1062
  • [10] High-throughput virtual molecular docking with AutoDockCloud
    Ellingson, Sally R.
    Baudry, Jerome
    CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE, 2014, 26 (04): : 907 - 916
12345