Research Highlights
Explore our peer-reviewed research with interactive 3D molecular viewers. From mRNA foundation models to de novo drug design.
Equi-mRNA: mRNA Expression & Stability Prediction
NeurIPS 2025 Publication
The first codon-level equivariant mRNA language model. Encodes synonymous codon symmetries using SO(2) group theory. 15M parameters outperform 82M-param models across 6 biological benchmarks. Trained on 25M protein-coding sequences.
Benchmark Results
| Model | E.coli | MLOS | iCodon | Tc-Ribo | mRFP |
|---|---|---|---|---|---|
| Nucleotide-Based | |||||
| RNA-FM | 0.43 | - | 0.34 | 0.58 | 0.80 |
| Aido mRNA | 0.576 | 0.504 | 0.472 | 0.492 | 0.683 |
| mRNA-FM | - | 0.509 | 0.458 | 0.690 | 0.564 |
| Codon-Based | |||||
| CodonBert | 0.57 | 0.543 | 0.350 | 0.502 | 0.832 |
| HELM (MLM) | - | 0.701 | 0.525 | 0.626 | 0.822 |
| Equi-mRNA (5M) | 0.581 | 0.705 | 0.519 | 0.764 | 0.853 |
| Equi-mRNA (15M) | 0.613 | 0.710 | 0.537 | 0.737 | 0.855 |
Bold = Best performance on dataset
NeurIPS 2025 PaperGPR-139 Selective Agonist: De Novo Design
DeepBio Scientific AI Platform
De novo designed GPR-139 selective agonist with 40% better predicted binding score than Dynorphin. Unlike RFDiffusion (21% structural similarity), our design achieves 0% similarity to existing proteins, enabling optimization to avoid off-target binding to opioid receptors (OPRM, OPRK, OPRD).
Peptide Sequence
VAFVKNWLEFLAQWVASRLVNHQIGLQQELQIVAQAVLRYHQAETAKLSYTLAN
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COVID-19 Drug Discovery: CMP-Neu5Ac
University Lab
Identified Cytidine-5'-monophospho-N-acetylneuraminic acid sodium salt (CMP-Neu5Ac) as a SARS-CoV-2 Spike Protein inhibitor through AI-driven molecular docking. Wet lab validated by University Materials Science Lab.
SMILES Structure
CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC2O[C@H](COP(O)(=O)O)[C@@H](O)[C@H]2O)(C(O)=O)O[C@H]1[C@H](O)[C@H](O)CO
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COVID-19 Drug Repurposing: FDA-Approved Antivirals
AttentionSite-Augmented DeepDTA
Top FDA-approved antiviral drugs predicted by AttentionSite-Augmented DeepDTA model to have highest affinity scores with 4 SARS-CoV-2 genome sequences. Identified candidates like Fosamprenavir, Elvitegravir, and Ritonavir as potential COVID-19 treatments.
| Drug Name | pIC50 | FDA Rank | Antiviral Rank |
|---|---|---|---|
| 1 Oseltamivir phosphate | 8.29 | #42 | #1 |
| 2 Etravirine | 8.22 | #52 | #2 |
| 3 Fosamprenavir calcium | 8.20 | #57 | #3 |
| 4 Tipranavir | 7.94 | #108 | #4 |
| 5 Elvitegravir | 7.88 | #141 | #5 |
Top 5 candidates for Spike-ACE2 target
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