Predicting the Permeability of Macrocycles from Conformational Sampling – Limitations of Molecular Flexibility
Author:
Funder
Swedish Research Council
Publisher
Elsevier BV
Subject
Pharmaceutical Science
Reference52 articles.
1. How proteins bind macrocycles;Villar;Nat Chem Biol,2014
2. How beyond rule of 5 drugs and clinical candidates bind to their targets;Doak;J Med Chem,2016
3. Drug syntheses beyond the rule of 5;Tyagi;Chem Eur J,2020
4. Use of 3D properties to characterize beyond rule-of-5 property space for passive permeation;Guimaraes;J Chem Inf Model,2012
5. Predicting and improving the membrane permeability of peptidic small molecules;Rafi;J Med Chem,2012
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