Using diverse potentials and scoring functions for the development of improved machine-learned models for protein–ligand affinity and docking pose prediction
Author:
Funder
Battelle
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery
Link
https://link.springer.com/content/pdf/10.1007/s10822-021-00423-4.pdf
Reference98 articles.
1. Wang RX et al (2004) The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures. J Med Chem 47(12):2977–2980
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3. Cheng TJ et al (2009) Comparative assessment of scoring functions on a diverse test set. J Chem Inf Model 49(4):1079–1093
4. Li Y et al (2014) Comparative assessment of scoring functions on an updated benchmark: 1. Compilation of the test set. J Chem Inf Model 54(6):1700–1716
5. Liu ZH et al (2015) PDB-wide collection of binding data: current status of the PDBbind database. Bioinformatics 31(3):405–412
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