Geerke DP

ORCID: 0000-0002-5262-6166 · 1 paper in corpus

2017

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

Journal of chemical information and modeling ·doi:10.1021/acs.jcim.7b00222

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 …