PLANET: A Multi-objective Graph Neural Network Model for Protein–Ligand Binding Affinity Prediction
Author:
Affiliation:
1. Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 201203, People’s Republic of China
Funder
National Key Research and Development Program of China
Science and Technology Commission of Shanghai Municipality
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00253
Reference80 articles.
1. Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs
2. Predictions of Ligand Selectivity from Absolute Binding Free Energy Calculations
3. Alchemical absolute protein–ligand binding free energies for drug design
4. Accurate calculation of the absolute free energy of binding for drug molecules
5. Docking techniques in pharmacology: How much promising?
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