ArticleComputational biology and chemistry2024
Development of a novel representation of drug 3D structures and enhancement of the TSR-based method for probing drug and target interactions.
Article in Computational biology and chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
10 citing papers in PubMed.
- Multiscale cross modal fusion and cascaded signal propagation for drug target interaction prediction.iScience · 2026Article
- Beyond the flat screen: evaluating virtual reality as a complementary tool for molecular docking in drug discovery.Journal of computer-aided molecular design · 2026Review
- MAGC-DTI: modality-shared space and adaptive gated interactive cross-attention for drug-target interaction prediction.Scientific reports · 2026Article
- Quantification of Conformational Changes of Kinase Regulators, Kinases, and Regulator-Kinase Complexes Using the TSR Algorithm.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Article
- MIF-DTI: a multimodal information fusion method for drug-target interaction prediction.Briefings in bioinformatics · 2025Article
- Predicting differentially methylated cytosines in TET and DNMT3 knockout mutants via a large language model.Briefings in bioinformatics · 2025Article
- Development of a TSR-based method for understanding structural relationships of cofactors and local environments in photosystem I.BMC bioinformatics · 2025Article
- Predicting Differentially Methylated Cytosines in TET and DNMT3 Knockout Mutants via a Large Language Model.bioRxiv : the preprint server for biology · 2024Article
- SSE-TSR: An Approach to Integrate Secondary Structure Elements Into Triangular Spatial Relationships for Protein Classification.IEEE transactions on computational biology and bioinformaticsArticle
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
7 authors.
Funding
Abstract
Understanding the mechanisms underlying interactions between drugs and target proteins is critical for drug discovery. In our earlier studies, we introduced the Triangular Spatial Relationship (TSR)-based algorithm, which enables the representation of a protein's 3D structure as a vector of integers (TSR keys). These TSR keys correspond to substructures of the 3D structure of a protein and are computed based on the triangles constructed by all possible triples of C
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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.