Original Article

Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM–GBSA calculation

  1. Juan Du1,
  2. Huijun Sun1,
  3. Lili Xi1,
  4. Jiazhong Li1,
  5. Ying Yang1,
  6. Huanxiang Liu2,
  7. Xiaojun Yao1,3,*

Article first published online: 29 JUN 2011

DOI: 10.1002/jcc.21859

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Volume 32, Issue 13, pages 2800–2809, October 2011

Additional Information

How to Cite

Du, J., Sun, H., Xi, L., Li, J., Yang, Y., Liu, H. and Yao, X. (2011), Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM–GBSA calculation. J. Comput. Chem., 32: 2800–2809. doi: 10.1002/jcc.21859

Author Information

  1. 1

    Department of Chemistry, State Key Laboratory of Applied Organic Chemistry, Lanzhou University, Lanzhou 730000, China

  2. 2

    School of Pharmacy, Lanzhou University, Lanzhou 730000, China

  3. 3

    Key Lab of Preclinical Study for New Drugs of Gansu Province, Lanzhou University, Lanzhou 730000, China

*Department of Chemistry, State Key Laboratory of Applied Organic Chemistry, Lanzhou University, Lanzhou 730000, China

Publication History

  1. Issue published online: 21 JUL 2011
  2. Article first published online: 29 JUN 2011
  3. Manuscript Accepted: 13 MAY 2011
  4. Manuscript Revised: 29 MAR 2011
  5. Manuscript Received: 4 AUG 2010

Funded by

  • Program for New Century Excellent Talents in University. Grant Number: NCET-07-0399
  • National Natural Science Foundation of China. Grant Number: 20905033

SEARCH

SEARCH BY CITATION

ARTICLE TOOLS

Get PDF (568K)

Options for accessing this content:

  • If you have access to this content through a society membership, please first log in to your society website.
  • If you would like institutional access to this content, please recommend the title to your librarian.
  • Login via Athens http://onlinelibrary.wiley.com/athens or other institutional login options http://onlinelibrary.wiley.com/login-options .
  • You can purchase online access to this Article for a 24-hour period (price varies by title)
    • If you already have a Wiley Online Library or Wiley InterScience user account: login above and proceed to purchase the article.
    • New Users: Please register, then proceed to purchase the article.

Please register to:

  • Save publications, articles and searches
  • Get email alerts
  • Get all the benefits mentioned below!

Register now >

Get PDF (568K)