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A schematic model for molecular affinity and binding with Ising variables

✍ Scribed by F. Thalmann

Book ID
111632585
Publisher
Springer-Verlag
Year
2010
Tongue
English
Weight
722 KB
Volume
31
Category
Article
ISSN
1292-8941

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A molecular mechanics model for imatinib
A molecular mechanics model for imatinib and imatinib:kinase binding
✍ Alexey Aleksandrov; Thomas Simonson πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 539 KB

## Abstract Imatinib is an important anticancer drug, which binds specifically to the Abl kinase and blocks its signalling activity. To model imatinib:protein interactions, we have developed a molecular mechanics force field for imatinib and four close analogues, which is consistent with the CHARMM