Leveraging advanced computational tools and machine learning to revolutionize therapeutic development
Start Your ProjectComprehensive computational solutions for modern drug discovery
Powered by our flagship GATomics platform - #1 ranked in 57.9% of benchmarks. Graph Attention Networks for single-cell multi-omics analysis.
BIND and RmsdXNA technologies screen 10B+ compounds. Targets proteins, RNA, and DNA with up to 88% hit rates.
AI-driven miniprotein and peptide design for "undruggable" targets. Proven 88% success rate in transcription factor targeting.
GROMACS simulations powered by NVIDIA H100 GPUs. 10+ years experience, 1000+ successful simulations.
Complete experimental validation from cell-based assays to advanced characterization. SPR/BLI, CETSA, flow cytometry and more.
Leading researchers in computational drug discovery
NTU Associate Professor
30 years of CADD experience leading the Biomolecular Simulations and Data Analysis Lab
4th Year PhD Student
4 years in CADD & ML, 1st author of RmsdXNA
1st Year PhD Student
5 years experience in Drug Discovery & Immunology, Wet Lab Director & CTO, 1st author of GATomics
1st Year PhD Student
4 years in CADD & ML, 2nd author of BIND and GATomics
Proven success across diverse therapeutic targets
Identified Gene X as therapeutic target using GATomics. Virtual screening of 2M compounds yielded 2 hits with μM IC50.
Hit Rate: 67% (4/6)Screened 1.2M molecules identifying 4 compounds with mM range Kd values through collaboration with Tsinghua University.
Hit Rate: 21% (4/19)FDA library screening (2,115 molecules) identified 6 inhibitors of Z-DNA recognition with confirmed activity.
Hit Rate: 60% (6/10)Discovered 2 inhibitors with μM range EC50 values from 10 candidates tested.
Hit Rate: 20% (2/10)4 compounds showed superior inhibition compared to known inhibitors, particularly compounds 11 and 12.
Hit Rate: 33% (4/12)RNA-targeting screen identified stabilizing and destabilizing compounds with 1.2μM Kd binding affinity.
Hit Rate: 20% (2/10)Using advanced AI tools for sequence generation and filtering, we designed miniproteins to target transcription factor proteins with exceptional success.
Hit Rate: 88% (7/8)Cutting-edge research in computational drug discovery
Our team is here to help transform your therapeutic development
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