Prediction of Multiple Binding Modes of the CDK2 Inhibitors, Anilinopyrazoles, Using the Automated Docking Programs GOLD, FlexX, and LigandFit: An Evaluation of Performance-Reference-Cited by-同舟云学术

Prediction of Multiple Binding Modes of the CDK2 Inhibitors, Anilinopyrazoles, Using the Automated Docking Programs GOLD, FlexX, and LigandFit: An Evaluation of Performance

Published:2006-10-10 Issue:6 Volume:46 Page:2552-2562
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Sato Hideyuki¹,Shewchuk Lisa M.¹,Tang Jun¹

Affiliation:

1. Chemistry Department, Tsukuba Research Laboratories, GlaxoSmithKline K.K., 43 Wadai, Tsukuba, Ibaraki 300-4247, Japan, and Computational, Structural and Analytical Sciences, GlaxoSmithKline Inc., Five Moore Drive, Research Triangle Park, North Carolina 27709

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci600186b

Reference42 articles.

1. Virtual Screening Using Binary Kernel Discrimination: Analysis of Pesticide Data

2. New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching

3. New Methodologies for Ligand-Based Virtual Screening

4. Application of the PharmPrint Methodology to Two Protein Kinases

5. Screening Drug-Like Compounds by Docking to Homology Models: A Systematic Study

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