Platform overview

AtKaralis-AIwe deliver modular, in silico solutions designed to support pharmaceutical and biotech partners working on new antiinfectives—especially for Gram-negative targets.

NOD2 protein

Our technology blends mechanistic insight, AI-driven prediction, and experimental validation.

Mechanistic Screening & Prediction Tools

  • Predict membrane permeability, intracellular accumulation, and antibacterial activity
  • Model transporter-mediated entry via Trojan-horse compounds (e.g., enterobactin analogs, PfeA, TonB transporters)
  • Explore siderophore recognition, uptake, and signaling pathways 

Antimicrobial Peptide (AMP) Design​

  • Predictive evaluation of AMPs with enhanced intracellular delivery
  • Structure-function modeling using MD and docking pipelines
  • Biologically meaningful property prediction through custom-trained neural networks

AI-Driven Property Prediction​

  • Pretrained SMILES and NMR autoencoders adaptable to new datasets and compound libraries
  • Support for high-throughput virtual screening
  • Tailored AI models for partner-specific challenges, enabling applications outside of AMR

Integrated Experimental Validation​

  • Structure-based support via MD, docking, and NMR spectroscopy
  • Optional collaboration for wet-lab validation and co-development projects

How we help

Precision tools forbiotech and pharma— built for strategic investors

For Pharma and Biotech

  • De-risk early discovery with mechanism-aware filters
  • Reduce attrition with better hit selection
  • Accelerate lead optimization with biology-grounded insights
  • Extend AI models to peptides, small molecules, and conjugates

For Investors

  • Positioned in the $50B+ AMR market with scalable computational tools
  • Proprietary pretrained autoencoders ensure versatility across biotech domains
  • Founded by scientists with a track record of translational research and innovation
AI screening
Mechanistic filters
Trojan-horse antibiotics
Siderophore uptake
Antibiotic modeling
Peptide delivery
Drug discovery
AMR
Pretrained models
Peptides
Proprietary tech

Empower innovation in antimicrobialresearch

Let’s discuss how we can power your next discovery project

Get in Touch