AI×MD, Accelerating
Drug Discovery
for the Future.
The future of next-generation drug design
begins with the convergence of AI and simulation.
Innovation in Four Dimensions
Atomatrix is changing the paradigm of the global pharmaceutical industry through its core next-generation drug design technology.
Globally Leading In Silico Screening Success Rate
Hit/Lead Development Success Rate 50%We achieve the industry's highest level of screening success by combining highly validated drug-target binding modeling and interaction calculation technologies.
- Modeling optimization based on selected Reference ligand-activity data sets
- Rapid construction of drug target and New Drug Candidate (Ligand) DB based on molecular dynamics technology
- Big data construction and optimal training set selection based on molecular dynamics technology
- Hit discovery and Lead optimization through AI-based deep learning
Advanced Modeling of Membrane and Soluble Proteins
Full-Spectrum Drug Target Modeling CapabilityOur world-class AlphaFold-based protein modeling technology enables ultra-precise 3D structure prediction for all drug targets.
- Holds the first domestic successful case of ultra-precision 3D modeling based on AlphaFold2
- Supports all membrane protein targets, including GPCR, Ion channel, and Transporter
- High-precision modeling of soluble proteins such as Kinase and Protease
- Published 11 key papers on membrane protein modeling/signal prediction (Total IFs 107.8)
World's First Commercialization of Membrane Protein Signal Prediction Technology
Prediction/Evaluation Platform for Pharmacological Signals Generated Post Drug-Target BindingA multi-layered prediction system accurately forecasts pharmacological signals through Protein-Protein Interaction(PPI) and Allosteric Communication Pipeline simulations.
- Quantitative prediction and evaluation of GPCR signal transduction mechanisms
- G-protein coupling selectivity prediction
- Allosteric modulator effects prediction
- Biased signaling evaluation and optimization
- Molecular-level understanding of Drug Action Mechanisms
High-Efficiency Data Generation & Analysis Automation Technology
>24 hours → 1-2 hoursOur proprietary molecular dynamics calculation automation technology has drastically reduced the time and improved the efficiency of conventional Drug Design (CADD).
- Automated calculation of molecular dynamics and binding affinity under optimal conditions
- High user convenience (Removes barrier of molecular dynamics/coding expertise)
- Ensures consistent quality with automated workflows
- Efficient execution of large-scale screening
- High-quality results can be generated without experts
A next-generation drug-design platform that starts with a single click.
The CANDDIE Platform automates the complex drug-development process so anyone can easily obtain high-quality results.
Learn more about CANDDIE
PARTNERS · MOU · VALIDATION
Partnerships and collaborative research with pharmaceutical companies and research institutions have validated the reliability and scalability of Atomatrix's technology.
As of '25: 2 Business Agreements, 2 MOUs, and 9 CDAs
