On achieving high accuracy and reliability in the calculation of relative protein-ligand binding affinities
Author:
Publisher
Proceedings of the National Academy of Sciences
Subject
Multidisciplinary
Reference26 articles.
1. Binding of Small-Molecule Ligands to Proteins: “What You See” Is Not Always “What You Get”
2. Efficient Drug Lead Discovery and Optimization
3. Advances in all atom sampling methods for modeling protein–ligand binding affinities
4. Alchemical free energy methods for drug discovery: progress and challenges
5. The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin
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