Quantum Mechanical Pairwise Decomposition Analysis of Protein Kinase B Inhibitors: Validating a New Tool for Guiding Drug Design

[Image: see text] Quantum mechanical semiempirical comparative binding energy analysis calculations have been carried out for a series of protein kinase B (PKB) inhibitors derived from fragment- and structure-based drug design. These protein−ligand complexes were selected because they represent a co...

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Detalles Bibliográficos
Autores principales: Zhang, Xiaohua, Gibbs, Alan C., Reynolds, Charles H., Peters, Martin B., Westerhoff, Lance M.
Formato: Texto
Lenguaje:English
Publicado: American Chemical Society 2010
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2860457/
https://www.ncbi.nlm.nih.gov/pubmed/20205431
http://dx.doi.org/10.1021/ci9003333

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2860457/
https://www.ncbi.nlm.nih.gov/pubmed/20205431
http://dx.doi.org/10.1021/ci9003333

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