AI-POWERED
Molecular Design

COMPANY NEWS

November 2026

Join Nostrum at DDC Europe 2026 in Barcelona: our CSO Víctor Guallar speaking and the Nostrum DDC After Event

COMPANY NEWS

May 2026

Nostrum Biodiscovery Sponsoring the Alchemistry Free Energy Workshop 2026

COMPANY NEWS

May 2026

Nostrum Biodiscovery Appoints Ahmad Reza Saadat as Head of Business Development, United States

COMPANY NEWS

December 2025

Nostrum’s Protein Engineering Department at the top of a Protein Binder Design Competition

HIGHLIGHT

February 2025

Latest release of PELE 1.9, now featuring PELE Loop Closure, designed to improve the conformational exploration of flexible loops in proteins and RNA

COMPANY NEWS

October 2025

Our Protein Engineering Director, Sergi Rodà, has published a new article in Trends in Biotechnology

HIGHLIGHT

September 2025

Nostrum Biodiscovery on the Global Stage: Upcoming Presentations by Our Team

HIGHLIGHT

May 2025

New Paper in Nature Methods: “The need to implement FAIR principles in biomolecular simulations”

Nostrum Biodiscovery Solutions

Discover

Whether you are focusing on small molecules, enzymes, or biologics, our AI-powered molecular design methods offer the most efficient screening of extensive libraries.

De novo Design

Design your ideal molecule from scratch – whether it is a protein, ligand, enzyme, or nucleic acid. Our advanced active learning generative models, fueled by diverse data sources, ensure unmatched
performance.

Optimize

Leverage our expertise and proprietary platform to optimize any molecule, enhancing its activity, specificity, ADMET properties, and more.

Why Our Solutions Stand Out

We are technology developers. We combine the speed of AI with the accuracy of physics-based modeling to deliver the best binders. We published our first AI tools in 2018, and 18 of our 52 publications (85% in high-impact journals) now cover our AI technologies, showing how we solve the most challenging drug discovery problems. We are modality-agnostic and have worked on more than 130 targets to date, 30% of them considered “undruggable”.

Technology Publications

Our technology

PELE:

Our proprietary Monte-Carlo based algorithm for molecular modeling

AI algorithms developed for molecular modeling

XNA-Hub: in silico platform to model and investigate natural and non-natural nucleic acids

Designing the Molecules of Tomorrow’s Medicines

We leverage our proprietary tools and benchmark publicly available ones to find the best solution for each specific project, across modalities.

Small Molecules

Proximity Inducers (MGs, TPDs, etc.)
De novo Generation
Macrocycles

Protein & Peptides

Protein & Enzyme Design
Vaccine Design
Peptide Bioprospecting
Antibody Design

Nucleic Acids

Nucleic Acid Modification
ASO Design
siRNA
Aptamers
RNA Vaccines

Nostrum Collaborative Approach

Services

Licensing

Co-Development

Contact us

Year Founded

Projects Undertaken

Clients

Repeat Clients

About

Nostrum Biodiscovery is a computational drug discovery technology developer, spun out of the Barcelona Supercomputing Center (BSC-CNS) and the Institute for Research in Biomedicine (IRB Barcelona), two of Spain’s most internationally recognized research centers.

Physics-based simulation meets AI. Our proprietary platforms are built for the targets and modalities others can’t reach: degraders, molecular glues, RNA and nucleic acid therapeutics. PELE® brings physics-based precision to protein-ligand dynamics. XNA-Hub®, TPD-Suite®, GluePELE and PELETAC extend it to nucleic acids, degraders and glues, while ChaRNABERT adds AI for RNA. Together they form one workflow from target to optimized hit.

Headquartered in Barcelona with an office in Boston, we work with clients in more than 13 countries across Europe, the US and Asia.

Meet our team

News

Company News


November 2026

Join us at DDC Europe 2026 and the Nostrum DDC After Event

See a short presentation on the concept and technologies behind our Polyplat solution.

LINK

Company News


April 2026

Ahmad Reza Saadat appointed Head of Business Development, United States

From publications to technical updates of our Nostrum Suite™ platform, it’s all in our latest newsletter.

LINK

Company News


December 2025

Our Protein Engineering team takes first place in the Nipah Binder Competition

We are beyond excited to have been selected for this initiative, which will equip us with the tools, insights, and connections needed to successfully expand our reach in the U.S. market.

LINK
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Our clients

Get in touch

Inquiries

For any inquiries, questions, or collaborations, please feel free to reach out to us. You can either call us at the provided number or fill out the contact form, and we will get back to you promptly.

Contact Us


We’re looking for talented people

Come and join us for an exciting job in one of the most innovative and growing biotech in Europe.

Current openings Send us your c.v.
Request a demo
UNIÓN EUROPEA

NOSTRUM BIODISCOVERY, en el marco del programa ICEX NEXT,
cuenta con el apoyo del ICEX y la cofinanciación del fondo europeo
FEDER para su Plan de Entrada en Nuevos Mercados 2020-2024.

CDTI ACCIO Catalonia exponential leader
Sello PYME INNOVADORA 28/04/2029
B66685256
NOSTRUM BIODISCOVERY SL
PYME INNOVADORA
Válido entre 29/04/2026- 28/04/2029
escudo de MEIC 28/04/2029
Cliente ENISA
Shareholders
Barcelona Supercomputing Center Universitat de Barcelona Spinoff ICREA FUNDACIÓN BOTÍN Institute for Research in Biomedicine