Recent advances in virtual ligand screening

被引:11
作者
Blake, JF [1 ]
Laird, ER [1 ]
机构
[1] Array BioPharma Inc, Boulder, CO 80301 USA
来源
ANNUAL REPORTS IN MEDICINAL CHEMISTRY, VOL 38 | 2003年 / 38卷
关键词
D O I
10.1016/S0065-7743(03)38031-5
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
引用
收藏
页码:305 / 314
页数:10
相关论文
共 48 条
  • [1] *ACC INC, CHEM X
  • [2] Integration of virtual and high-throughput screening
    Bajorath, F
    [J]. NATURE REVIEWS DRUG DISCOVERY, 2002, 1 (11) : 882 - 894
  • [3] Selected concepts and investigations in compound classification, molecular descriptor analysis, and virtual screening
    Bajorath, J
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2001, 41 (02): : 233 - 245
  • [4] Identification of common functional configurations among molecules
    Barnum, D
    Greene, J
    Smellie, A
    Sprague, P
    [J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1996, 36 (03): : 563 - 571
  • [5] BARRECA ML, 2003, IN PRESS J CHEM INF
  • [6] Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations
    Bissantz, C
    Folkers, G
    Rognan, D
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 2000, 43 (25) : 4759 - 4767
  • [7] THE COMPUTER-PROGRAM LUDI - A NEW METHOD FOR THE DENOVO DESIGN OF ENZYME-INHIBITORS
    BOHM, HJ
    [J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1992, 6 (01) : 61 - 78
  • [8] Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization. A promising alternative to random screening
    Boehm, HJ
    Boehringer, M
    Bur, D
    Gmuender, H
    Huber, W
    Klaus, W
    Kostrewa, D
    Kuehne, H
    Luebbers, T
    Meunier-Keller, N
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 2000, 43 (14) : 2664 - 2674
  • [9] BRENK R, 2003, IN PRESS J MED CHEM
  • [10] Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins
    Charifson, PS
    Corkery, JJ
    Murcko, MA
    Walters, WP
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1999, 42 (25) : 5100 - 5109