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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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Publicat a:J Chem Inf Model
Autors principals: van Dijk, Marc, ter Laak, Antonius M., Wichard, Jörg D., Capoferri, Luigi, Vermeulen, Nico P. E., Geerke, Daan P.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2017
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5615371/
https://ncbi.nlm.nih.gov/pubmed/28776988
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.7b00222
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