ORIGINAL RESEARCH
Published on 05 Mar 2025
Efficient substructure feature encoding based on graph neural network blocks for drug-target interaction prediction
doi 10.3389/fphar.2025.1553743
- 185 views
- Frontiers in Pharmacology
- Experimental Pharmacology and Drug Discovery
- Research Topics
- Advancing Drug Discovery with AI: Drug-Target Interactions, Mechanisms of Action, and Screening
Advancing Drug Discovery with AI: Drug-Target Interactions, Mechanisms of Action, and Screening
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Articles
REVIEW
Published on 27 Feb 2025
Trends in the research and development of peptide drug conjugates: artificial intelligence aided design
doi 10.3389/fphar.2025.1553853
- 514 views
ORIGINAL RESEARCH
Published on 30 Oct 2024
Identification of novel SARS-CoV-2 3CLpro inhibitors by molecular docking, in vitro assays, molecular dynamics simulations and DFT analyses
doi 10.3389/fphar.2024.1494953
- 724 views
- 1 citation
ORIGINAL RESEARCH
Published on 23 Oct 2024
De novo design of mIDH1 inhibitors by integrating deep learning and molecular modeling
doi 10.3389/fphar.2024.1491699
- 602 views
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