Glide: A new paradigm for rapid, accurate docking and scoring in database screening.

被引:0
|
作者
Halgren, TA
Murphy, RB
Banks, J
Mainz, D
Klicic, J
Perty, JK
Friesner, RA
机构
[1] Schrodinger, New York, NY 10036 USA
[2] Columbia Univ, Dept Chem, New York, NY 10027 USA
来源
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2002年 / 224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
042-CINF
引用
收藏
页码:U345 / U345
页数:1
相关论文
共 27 条
  • [1] Glide: A new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening
    Halgren, TA
    Murphy, RB
    Friesner, RA
    Beard, HS
    Frye, LL
    Pollard, WT
    Banks, JL
    JOURNAL OF MEDICINAL CHEMISTRY, 2004, 47 (07) : 1750 - 1759
  • [2] Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
    Friesner, RA
    Banks, JL
    Murphy, RB
    Halgren, TA
    Klicic, JJ
    Mainz, DT
    Repasky, MP
    Knoll, EH
    Shelley, M
    Perry, JK
    Shaw, DE
    Francis, P
    Shenkin, PS
    JOURNAL OF MEDICINAL CHEMISTRY, 2004, 47 (07) : 1739 - 1749
  • [3] Interdependence of docking performance and scoring accuracy in virtual screening.
    Kontoyianni, M
    McClellan, L
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 228 : U513 - U513
  • [4] New developments in the Glide XP docking and scoring methodology
    Friesner, Richard
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 233 : 15 - 15
  • [5] Discovery of novel histone deacetylase inhibitors by molecular docking and database screening.
    Park, HJ
    Yoo, J
    Kim, YK
    Han, JW
    Lee, HW
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 224 : U27 - U27
  • [6] Flexible ligand docking with glide: Evaluation of structure prediction performance and utility for virtual ligand screening.
    Friesner, R
    Halgren, TA
    Shenkin, P
    Murphy, RB
    Banks, J
    Beard, H
    Klicic, J
    Mainz, D
    Perry, J
    Hendrickson, TF
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U465 - U465
  • [7] Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide
    Sameer Kawatkar
    Hongming Wang
    Ryszard Czerminski
    Diane Joseph-McCarthy
    Journal of Computer-Aided Molecular Design, 2009, 23 : 527 - 539
  • [8] Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide
    Kawatkar, Sameer
    Wang, Hongming
    Czerminski, Ryszard
    Joseph-McCarthy, Diane
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2009, 23 (08) : 527 - 539
  • [9] Evaluation of docking and scoring accuracy using a new version of Schrodinger's Glide XP and Induced Fit Docking (IFD) methodologies
    Murphy, Rob
    Repasky, Matt
    Zhou, Zhiyong
    Abel, Robert
    Krilov, Goran
    Tubert-Brohman, Ivan
    Sherman, Woody
    Farid, Ramy
    Friesner, Richard A.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 241
  • [10] Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide
    Repasky, Matthew P.
    Murphy, Robert B.
    Banks, Jay L.
    Greenwood, Jeremy R.
    Tubert-Brohman, Ivan
    Bhat, Sathesh
    Friesner, Richard A.
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2012, 26 (06) : 787 - 799