ArticleScientific reports2017
Prediction of N-Methyl-D-Aspartate Receptor GluN1-Ligand Binding Affinity by a Novel SVM-Pose/SVM-Score Combinatorial Ensemble Docking Scheme.
Article in Scientific reports, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Drug Discovery in the Age of Artificial Intelligence: Transformative Target-Based Approaches.International journal of molecular sciences · 2024Review
- Discovery of novel ULK1 inhibitors through machine learning-guided virtual screening and biological evaluation.Future medicinal chemistry · 2024Article
- Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system.Molecular diversity · 2023Review
- Comprehensive Survey of Consensus Docking for High-Throughput Virtual Screening.Molecules (Basel, Switzerland) · 2022Review
- Curated Database and Preliminary AutoML QSAR Model for 5-HT1A Receptor.Pharmaceutics · 2021Article
- Artificial intelligence and machine learning-aided drug discovery in central nervous system diseases: State-of-the-arts and future directions.Medicinal research reviews · 2021Review
- Inhibition of Podocytes DPP4 Activity Is a Potential Mechanism of Lobeliae Chinensis Herba in Treating Diabetic Kidney Disease.Frontiers in pharmacology · 2021Article
- Evaluation of Artificial Intelligence in Participating Structure-Based Virtual Screening for Identifying Novel Interleukin-1 Receptor Associated Kinase-1 Inhibitors.Frontiers in oncology · 2020Article
- Natural phenolic compounds potentiate hypoglycemia via inhibition of Dipeptidyl peptidase IV.Scientific reports · 2019Article
- Molecular Docking: Shifting Paradigms in Drug Discovery.International journal of molecular sciences · 2019Review
- Exponential consensus ranking improves the outcome in docking and receptor ensemble docking.Scientific reports · 2019Article
- The perceptions of natural compounds against dipeptidyl peptidase 4 in diabetes: fromTherapeutic advances in chronic disease · 2019Review
- Theoretical Prediction of the Complex P-Glycoprotein Substrate Efflux Based on the Novel Hierarchical Support Vector Regression Scheme.Molecules (Basel, Switzerland) · 2018Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The glycine-binding site of the N-methyl-D-aspartate receptor (NMDAR) subunit GluN1 is a potential pharmacological target for neurodegenerative disorders. A novel combinatorial ensemble docking scheme using ligand and protein conformation ensembles and customized support vector machine (SVM)-based models to select the docked pose and to predict the docking score was generated for predicting the NMDAR GluN1-ligand binding affinity. The predicted root mean square deviation (RMSD) values in pose by SVM-Pose models were found to be in good agreement with the observed values (n = 30, r
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Registered trials
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