ReviewMolecules (Basel, Switzerland)2022
Protein-Ligand Docking in the Machine-Learning Era.
Review in Molecules (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 69 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
69 citing papers in PubMed, 163 citations in OpenAlex.
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- Synergistic effects of luteolin and Lactobacillus rhamnosus on methicillin-resistant Staphylococcus aureus biofilm inhibition: in vitro and in silico molecular deployment studies.Folia microbiologica · 2026Article
- Strategic Template Filtering Accelerates Fragment-Based Peptide Docking.Journal of chemical information and modeling · 2026Article
- Machine Learning and Virtual Screening Methods to Discover Potential Cyclin-Dependent Kinase 2 (CDK2) Inhibitors.Pharmaceuticals (Basel, Switzerland) · 2026Article
- The LiPP Benchmark Set for Modeling Lipid-Protein Complexes: Comparison of Co-Folding and Docking Methods.Journal of chemical information and modeling · 2026Article
- Amphibian-derived peptides as novel therapeutics for skin wound healing: Mechanisms, applications, and challenges.Zoological research · 2026Review
- Pampa biome plant extracts and flavonoids show antiviral activity against Bovine Herpesvirus and Bovine Viral Diarrhea Virus.Scientific reports · 2026Article
- Quantum computing applications in drug discovery.Briefings in bioinformatics · 2026Review
- Reindeer: a protein-ligand feature generator software for machine learning algorithms.BMC bioinformatics · 2026Article
- AI-driven drug-target interaction prediction: current progress, challenges, and future roadmap for precision medicine.Journal of computer-aided molecular design · 2026Review
- Fine-Tuning DiffDock-L for Allosteric Kinase Docking.Journal of chemical information and modeling · 2026Article
- Integrated transcriptomic and targeted triterpenoid profiling reveals key enzymes in triterpenoid biosynthesis of Oplopanax elatus.Scientific reports · 2026Article
- GNN-MA: Soft Molecular Alignment with Cross-Graph Attention for Ligand-Based Virtual Screening.Molecules (Basel, Switzerland) · 2026Article
- Rapid Discovery of CD38 Inhibitor via DNA-Encoded Natural Product Library Screening.Molecules (Basel, Switzerland) · 2026Article
- Prediction of Protein-Ligand Binding Affinities Using Atomic Surface Site Interaction Points.Journal of chemical information and modeling · 2026Article
- Vancomycin resistance in gram-positive infections: evolutionary strategies of survival.Archives of microbiology · 2026Review
- Elastic Net Regression to Predict CDK2 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Deep Learning Pipeline for Accelerating Virtual Screening in Drug Discovery.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Combining MVD and Ridge Method to Predict CDK2 Inhibition.Methods in molecular biology (Clifton, N.J.) · 2026Article
9 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors at 2 institutions in 2 countries.
Funding
Abstract
Molecular docking plays a significant role in early-stage drug discovery, from structure-based virtual screening (VS) to hit-to-lead optimization, and its capability and predictive power is critically dependent on the protein-ligand scoring function. In this review, we give a broad overview of recent scoring function development, as well as the docking-based applications in drug discovery. We outline the strategies and resources available for structure-based VS and discuss the assessment and development of classical and machine learning protein-ligand scoring functions. In particular, we highlight the recent progress of machine learning scoring function ranging from descriptor-based models to deep learning approaches. We also discuss the general workflow and docking protocols of structure-based VS, such as structure preparation, binding site detection, docking strategies, and post-docking filter/re-scoring, as well as a case study on the large-scale docking-based VS test on the LIT-PCBA data set.
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What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.