Novel inhibitor discovery for influenza virus neuraminidase
A multi-target screening approach connects molecular prediction with in vitro antiviral investigation.
Read the study: Novel inhibitor discovery for influenza virus neuraminidaseBiology at the center. AI at the frontier.
Accelerating drug discovery with AI-powered precision.
We bring artificial intelligence and biophysical insight together to find promising molecules and advance the next generation of medicines.
From chemical space to a focused shortlist.Conceptual molecular landscape. Move your pointer to explore.
AI-native discoveryModels built into the processBiophysical insightGrounded in molecular interactionsPatient-centered purposeBetter possibilities for medicine
From promising hits
to stronger candidates.
End-to-end in silico drug discovery for pharma, biotech and academia. Start with a single challenge or connect the whole workflow.
- 01
Hit identification
Explore chemical space to identify diverse, promising compounds for your target.
Explore screening - 02
Hit to lead
Refine affinity, selectivity and drug-like properties to shape stronger leads.
Explore refinement - 03
Lead optimization
Bring efficacy, safety and molecular dynamics into the next research decision.
Explore optimization
The Biocentric platform
AI and biophysics.
One connected approach.
Our modular platform integrates proprietary architectures, open-source models and biophysical methods to explore molecular interactions across therapeutic areas.
Inside the platformTarget biologyChemical space
Binding affinity predictionAI models + biophysical insightAffinity & selectivityADMET & dynamics
A connected workflow, shaped around your research.
Science in practice
Explore the work
behind the approach.
Research across immunology and virology, with methods, findings and next steps made visible.
View all case studies
Benchmarking a novel in silico pipeline for TYK2 inhibitor discovery
An ultra-large library and a known-active comparison put a screening pipeline to the test.
Read the study: Benchmarking a novel in silico pipeline for TYK2 inhibitor discoveryProgress through collaboration.
Collaborations featured by Biocentric.
A better next step for your research.
Bring your target, your challenge, or your next idea. Let’s explore it together.