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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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Bibliografische gegevens
Gepubliceerd in:J Chem Inf Model
Hoofdauteurs: van Dijk, Marc, ter Laak, Antonius M., Wichard, Jörg D., Capoferri, Luigi, Vermeulen, Nico P. E., Geerke, Daan P.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: American Chemical Society 2017
Online toegang: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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