Trends in high-performance computing requirements for computer-aided drug design

被引：3
|
作者：
Vacek, George [1 ]
Mullally, Dave [2 ]
Christensen, Knute [2 ]
机构：
[1] Hewlett Packard Corp, Duluth, MN 55812 USA
[2] Hewlett Packard Corp, Richardson, TX 75080 USA
来源：
CURRENT COMPUTER-AIDED DRUG DESIGN | 2008年 / 4卷 / 01期
关键词：
high-performance computing; blades servers; multi-core processors; grid computing; hardware accelerators;
D O I：
10.2174/157340908783769247
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
Computer-aided drug design (CADD) has become a mainstream component of the drug discovery and development process. High Performance Computing (HPC) provides the power that allows CADD researchers to explore more designs in less time, and some of the greatest improvements in CADD result directly from advances in HPC. This paper examines some of the more significant trends in HPC that influence computer-aided drug design (CADD).
引用
收藏
页码：2 / 12
页数：11
相关论文
共 50 条
  • [21] Proteomics in Computer-Aided Drug Design
    Wang, Ying
    Chiu, Jen-Fu
    He, Qing-Yu
    [J]. CURRENT COMPUTER-AIDED DRUG DESIGN, 2005, 1 (01) : 43 - 52
  • [22] Tautomerism in computer-aided drug design
    Pospisil, P
    Ballmer, P
    Scapozza, L
    Folkers, G
    [J]. JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION, 2003, 23 (04) : 361 - 371
  • [23] UPDATE ON COMPUTER-AIDED DRUG DESIGN
    JACKSON, RC
    [J]. CURRENT OPINION IN BIOTECHNOLOGY, 1995, 6 (06) : 646 - 651
  • [24] Computer-Aided Drug Design in Epigenetics
    Lu, Wenchao
    Zhang, Rukang
    Jiang, Hao
    Zhang, Huimin
    Luo, Cheng
    [J]. FRONTIERS IN CHEMISTRY, 2018, 6
  • [25] High-Performance Computing for Drug Design
    Yang, Mary Qu
    Yang, Jack Y.
    [J]. 2008 IEEE INTERNATIONAL CONFERENCE ON BIOINFORMATICS AND BIOMEDICINE WORKSHOPS, PROCEEDINGS, 2008, : 120 - 120
  • [26] Recent Trends in Computer-aided Drug Design for Anti-cancer Drug Discovery
    Razia, Iashia Tur
    Kanwal, Ayesha
    Riaz, Hafiza Fatima
    Malik, Abbeha
    Ahsan, Muhammad
    Khan, Muhammad Saleem
    Raza, Ali
    Sabir, Sumera
    Sajid, Zureesha
    Khan, Muhammad Fardeen
    Tahir, Rana Adnan
    Sehgal, Sheikh Arslan
    [J]. CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2023, 23 (30) : 2844 - 2862
  • [27] COMPUTER-AIDED OPTIMIZATION IN HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY
    DEGALAN, L
    [J]. TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 1985, 4 (03) : 62 - 65
  • [28] TRENDS IN COMPUTER-AIDED CIRCUIT DESIGN (CACD)
    JOHNSON, ET
    [J]. ELECTRO-TECHNOLOGY, 1969, 84 (05): : 57 - &
  • [29] COMPUTER-AIDED OPTIMIZATION OF DRUG ENANTIOMER SEPARATION IN CHIRAL HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY
    FELL, AF
    NOCTOR, TAG
    MAMA, JE
    CLARK, BJ
    [J]. JOURNAL OF CHROMATOGRAPHY-BIOMEDICAL APPLICATIONS, 1988, 434 (02): : 377 - 384
  • [30] Role of Computer-Aided Drug Design in Drug Development
    Gu, Ruoxu
    Wu, Fengxu
    Huang, Zunnan
    [J]. MOLECULES, 2023, 28 (20):
12345