HPC-driven drug discovery, from molecule to clinic.
Structural bioinformatics and HPC at UCAM. Twenty-five years building computational methods on supercomputers — delivering patented compounds, licensed assets and ongoing clinical studies. We partner with pharma, biotech, agri-food and academic groups worldwide.
What we do
A research group operating like an industry partner — methods, infrastructure and translation under one roof.
Methods
Novel structural bioinformatics, AI and machine-learning methods for drug discovery, target characterisation and compound optimisation.
HPC
Implementation on supercomputers and on freely accessible web servers, enabling large-scale virtual screening and molecular dynamics campaigns.
Translation
Compounds discovered with our pipeline are patented, licensed and progressing into clinical studies — Murcia 2022 (colorectal cancer) and Murcia 2023 (weight-loss).
What we offer
Three service lines for industry and academic partners, contracted through UCAM’s Technology Transfer Office.
Computational drug discovery
Structure-based virtual screening, molecular docking, molecular dynamics, pharmacophore modelling and consensus methods, applied to academic, biotech and pharma targets.
HPC capacity & SaaS access
Private HPC deployments, dedicated cluster scheduling and on-premise installations of our tools for partners who require scale, throughput or full data confidentiality.
AI on HPC
Custom interpretable machine-learning models (ADMET, QSAR, target prediction, image analysis and time-series forecasting) trained and deployed on supercomputing resources.
Imipramine → Fascin — colorectal cancer metastasis
Structure-based discovery of an FDA-approved antidepressant as a potent Fascin1 inhibitor that blocks invasion of colorectal tumour cells in vitro and in vivo. Patent licensed (2023). Clinical study started in Murcia (2022).
Group video presentation
Partners and collaborators
Partner with us
We are actively seeking biotech and pharmaceutical partners across three tracks. All commercial agreements are channelled through UCAM’s Technology Transfer Office (OTRI).
Licensing
Patents available for licensing or sub-licensing across multiple targets and indications.
Co-development
Joint pre-clinical and clinical development of novel chemical entities with nanomolar activities.
Clinical-trial investment
Investment opportunities for ongoing clinical studies in colorectal cancer and weight-loss.
Contact: Prof. Horacio Pérez-Sánchez · hperez@ucam.edu