Interdependence of docking performance and scoring accuracy in virtual screening.

被引：0
|
作者：
Kontoyianni, M
McClellan, L
机构：
[1] Penn State Univ, University Pk, PA 16802 USA
[2] Drexel Univ, Philadelphia, PA 19104 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2004年 / 228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：
085-COMP
引用
收藏
页码：U513 / U513
页数：1
相关论文
共 50 条
  • [1] Docking and scoring: Improvements in screening enrichment and docking accuracy.
    Jain, A
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 228 : U501 - U501
  • [2] Supervised consensus scoring for docking and virtual screening
    Teramoto, Reiji
    Fukunishi, Hiroaki
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2007, 47 (02) : 526 - 534
  • [3] Glide: A new paradigm for rapid, accurate docking and scoring in database screening.
    Halgren, TA
    Murphy, RB
    Banks, J
    Mainz, D
    Klicic, J
    Perty, JK
    Friesner, RA
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 224 : U345 - U345
  • [4] 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
  • [5] A fast empirical scoring method for docking and virtual screening
    Cozzini, Pietro
    Spyrakis, Francesca
    Amadasi, Alessio
    Mozzarelli, Andrea
    Kellogg, Glen. E.
    DRUGS OF THE FUTURE, 2007, 32 : 16 - 16
  • [6] Interplay of docking, pharmacophores, and shape in virtual high-throughput screening.
    Evensen, E
    Purkey, HE
    Lind, KE
    Bradley, EK
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 228 : U368 - U368
  • [7] Enhancing Scoring Performance of Docking-Based Virtual Screening Through Machine Learning
    Silva, Candida G.
    Simoes, Carlos J. V.
    Carreiras, Pedro
    Brito, Rui M. M.
    CURRENT BIOINFORMATICS, 2016, 11 (04) : 408 - 420
  • [8] Virtual deconvolution of high throughput screening results on mixtures using docking and pharmacophore screening.
    Nam, K
    Schweitzer, R
    Tart-Risher, N
    Schumacher, C
    Marshall, P
    Cornell, WD
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U484 - U485
  • [9] Comparative evaluation of eight docking tools for docking and virtual screening accuracy
    Kellenberger, E
    Rodrigo, J
    Muller, P
    Rognan, D
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2004, 57 (02) : 225 - 242
  • [10] Docking and scoring in virtual screening for drug discovery: Methods and applications
    Kitchen, DB
    Decornez, H
    Furr, JR
    Bajorath, J
    NATURE REVIEWS DRUG DISCOVERY, 2004, 3 (11) : 935 - 949
12345