FEW: A workflow tool for free energy calculations of ligand binding
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference51 articles.
1. The Many Roles of Computation in Drug Discovery
2. Calculation of Protein-Ligand Binding Affinities
3. Advances and applications of binding affinity prediction methods in drug discovery
4. Prediction of protein–ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations
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