Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors

[Image: see text] Cytochrome P450 aromatase (CYP19A1) plays a key role in the development of estrogen dependent breast cancer, and aromatase inhibitors have been at the front line of treatment for the past three decades. The development of potent, selective and safer inhibitors is ongoing with in si...

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Detalles Bibliográficos
Autores principales: van Dijk, Marc, ter Laak, Antonius M., Wichard, Jörg D., Capoferri, Luigi, Vermeulen, Nico P. E., Geerke, Daan P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5615371/
https://www.ncbi.nlm.nih.gov/pubmed/28776988
http://dx.doi.org/10.1021/acs.jcim.7b00222

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