Current advances on the development of BET inhibitors: insights from computational methods
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Elsevier
Reference214 articles.
1. Off-pocket activity cliffs: A puzzling facet of molecular recognition;Abramyan;Journal of Chemical Information and Modeling,2020
2. Statistical analysis on the performance of molecular mechanics Poisson-Boltzmann surface area versus absolute binding free energy calculations: Bromodomains as a case study;Aldeghi;Journal of Chemical Information and Modeling,2017
3. Accurate calculation of the absolute free energy of binding for drug molecules;Aldeghi;Chemical Science,2016
4. Predictions of ligand selectivity from absolute binding free energy calculations;Aldeghi;Journal of the American Chemical Society,2017
5. Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo;Aldeghi;Communications Chemistry,2018
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