ChemBoost: A Chemical Language Based Approach for Protein – Ligand Binding Affinity Prediction
Author:
Affiliation:
1. Department of Computer Engineering Boğaziçi University Istanbul Turkey
2. Department of Chemical Engineering Boğaziçi University Istanbul Turkey
3. Data and Analytics Chapter Pharma International Informatics F. Hoffmann-La Roche AG Switzerland
Publisher
Wiley
Subject
Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.202000212
Reference61 articles.
1. Protein structure-based drug design: from docking to molecular dynamics
2. Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery
3. The PDBbind Database: Collection of Binding Affinities for Protein−Ligand Complexes with Known Three-Dimensional Structures
4. UniProt: the Universal Protein knowledgebase
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