ONIOM study of the nonbonding interaction of the 2PU inhibitor with the CDK2 and CDK4 cyclin-dependant kinases-Reference-Cited by-同舟云学术

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ONIOM study of the nonbonding interaction of the 2PU inhibitor with the CDK2 and CDK4 cyclin-dependant kinases

Published:2008-11-21 Issue:5 Volume:109 Page:1148-1157
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Li Aixiao,Maurel François,Delamar Michel,Wang Baoshan

Funder

Paris Diderot (Paris 7) University

The French Embassy, Beijing

French Ministry of Research

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.21922/fullpdf

Reference23 articles.

1. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

2. Gao , J. In Reviews in Computational Chemistry 7 Lipkowitz , K. B. Boyd , D. B. VCH Publishers New York 1996 119

3. The Energetic and Structural Effects of Single Amino Acid Substitutions upon Capped α-Helical Peptides Containing 17 Amino Acid Residues. An ONIOM DFT/AM1 Study

4. Gauging the applicability of ONIOM (MO/MO) methods to weak chemical interactions in large systems: hydrogen bonding in alcohol dimers

5. A Computational Study of the Protein-Ligand Interactions in CDK2 Inhibitors: Using Quantum Mechanics/Molecular Mechanics Interaction Energy as a Predictor of the Biological Activity

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