ArticleFrontiers in chemistry2021
OnionNet-2: A Convolutional Neural Network Model for Predicting Protein-Ligand Binding Affinity Based on Residue-Atom Contacting Shells.
Article in Frontiers in chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 61 papers.
What it found
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The trial behind it
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Who cites it
61 citing papers in PubMed.
- qcGEM: A Graph-Based Molecular Representation With Quantum Chemistry Awareness.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Reimagining computational macromolecular modeling: AI-driven approaches.Biophysical journal · 2026Review
- Atomic-level protein-ligand recognition with PBCNet2.0 for probe discovery.Nature chemical biology · 2026Article
- Engineering an Extremely Hybrid PKS for Adipic Acid Production.ACS synthetic biology · 2026Article
- Robustness of Protein-Ligand Binding Affinity Prediction Models to Docked and Predicted Structures.Journal of chemical information and modeling · 2026Article
- Critical Artifacts Improve Reproducibility of Protein-Ligand Binding Affinity Prediction Models on CASF-2016.Journal of chemical information and modeling · 2026Article
- FlowDock: A unified flow-based framework for flexible protein-ligand docking and binding affinity prediction.Acta pharmaceutica Sinica. B · 2026Article
- Integrating multimodal features with deep learning for protein solubility prediction.Journal of cheminformatics · 2026Article
- Pocket-Surface Discrete Differential Geometry as a Leakage-Robust Feature Class for Protein-Ligand Binding Affinity Prediction.Molecules (Basel, Switzerland) · 2026Article
- The Last Mile Problem: A Critical Assessment of Physics-Based and AI Tools for Small Molecule Binding Prediction in Virtual Screening.Journal of chemical information and modeling · 2026Article
- Reindeer: a protein-ligand feature generator software for machine learning algorithms.BMC bioinformatics · 2026Article
- Docking of millions: accelerating a million-scale virtual screening using deep learning.Briefings in bioinformatics · 2026Article
- LamNet: an alchemical-path-aware graph neural network to accelerate binding free energy calculations for drug discovery and beyond.National science review · 2026Article
- Accurate and Generalizable Protein-Ligand Binding Affinity Prediction With Geometric Deep Learning.IEEE open journal of engineering in medicine and biology · 2026Article
- Can AI-Predicted Complexes Teach Machine Learning to Compute Drug Binding Affinity?Journal of chemical information and modeling · 2025Article
- A geometric graph-based deep learning model for drug-target affinity prediction.BMC bioinformatics · 2025Article
- Uncertainty quantification enables reliable deep learning for protein-ligand binding affinity prediction.Scientific reports · 2025Article
- Enhancing kinase-inhibitor activity and selectivity prediction through contrastive learning.Nature communications · 2025Article
- An efficient deep learning-based strategy to screen inhibitors for GluN1/GluN3A receptor.Acta pharmacologica Sinica · 2025Article
- Drug Resistance Predictions Based on a Directed Flag Transformer.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
1 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
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
One key task in virtual screening is to accurately predict the binding affinity (△
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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.