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2025
AlloBench: A Data Set Pipeline for the Development and Benchmarking of Allosteric Site Prediction Tools
ACS Omega
2025
Importance of Inter-residue Contacts for Understanding Protein Folding and Unfolding Rates, Remote Homology, and Drug Design
Molecular Biotechnology
2025
Integrating Deep Learning and Molecular Dynamics to Identify GPR17 Ligands for Glioblastoma Therapy
Current Chemical Biology
2025
GENEOnet: statistical analysis supporting explainability and trustworthiness
Statistics
2024
Identifying Potent Fat Mass and Obesity-Associated Protein Inhibitors Using Deep Learning-Based Hybrid Procedures
BioMedInformatics
2024
Advances in Deep Learning Assisted Drug Discovery Methods: A Self-review
Current Bioinformatics
2024
Bibliometric analysis of artificial intelligence in healthcare research: Trends and future directions
Future Healthcare Journal
2023
Improving the generalizability of protein-ligand binding predictions with AI-Bind
Nature Communications
2023
Advancement of Targeted Protein Degradation Strategies As Therapeutics for Undruggable Disease Targets
Future Medicinal Chemistry
2023
Drug Design and Disease Diagnosis: The Potential of Deep Learning Models in Biology
Current Bioinformatics
2023
DataDTA: a multi-feature and dual-interaction aggregation framework for drug–target binding affinity prediction
Bioinformatics
2022
Probabilistic Pocket Druggability Prediction via One-Class Learning
Frontiers in Pharmacology
2022
Exploring Artificial Intelligence in Drug Discovery: A Comprehensive Review
Archives of Computational Methods in Engineering
2022
Hybrid drug-screening strategy identifies potential SARS-CoV-2 cell-entry inhibitors targeting human transmembrane serine protease
Structural Chemistry
2022
A multilayer dynamic perturbation analysis method for predicting ligand–protein interactions
BMC Bioinformatics
2021
Methods in Pharmacology and Toxicology
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