Computational Platform

The Genolux Computational Platform

PPI interface modeling and candidate scoring at research scale — accessible through API or the web interface.

Abstract visualization of the computational PPI scoring pipeline — protein complex input through to disruption score output — represented as a flowing data topology diagram

PPI Complex Library

Pre-characterized library of 400+ oncology-relevant PPI complexes with validated hot-spot annotations.

Integrated PDB Access

Direct PDB integration — submit PDB ID or upload custom coordinates. AlphaFold2 predictions accepted.

REST API

Programmatic access for pipeline integration. SMILES-in, scored-SDF-out. Python SDK available.

Fragment Library

Genolux curated PPI-biased fragment library of 12,000+ compounds, pre-screened for interface geometry.

Data Security

All uploaded structural data encrypted in transit and at rest. No proprietary compound data shared.

Validated Benchmarks

Scoring functions validated against curated experimental ΔΔG datasets for 8 oncology PPI systems.

API Integration

Python SDK — Score Your PPI Target in Minutes

Submit a PDB target and SMILES library programmatically. Get a scored SDF back with per-compound disruption scores, structural rationale, and SAR vectors.

Request API Access

ppi_screen.py

import genolux

# Initialise client with your API key
client = genolux.Client(
    api_key="gnlx_api_XXXXXXXXXXXXXXXX"
)

# Score a SMILES library against MDM2/p53 interface
results = client.score_ppi(
    target_pdb="4HFZ",
    library="smiles_library.smi",
    scoring_mode="disruption",
    top_n=50
)

# Export ranked hit list with structural rationale
results.to_sdf("ranked_hits.sdf")
results.summary()
# → 12,847 compounds screened in 4.2 min
# → Top disruption score: 0.89 (Compound ID: GL-7734)

Request Platform Access

Platform access is available to qualified research teams at biotech and pharmaceutical companies. Contact us to begin the onboarding discussion.

Contact Research Team