Nostrum Biodiscovery

Nostrum Biodiscovery is an AI-powered molecular design company and spin-off from the Barcelona Supercomputing Center (BSC-CNS) and the Institute for Research in Biomedicine (IRB), two of Spain's most internationally recognized research institutions. The company focuses on two primary areas: therapeutics and bio-based chemistry, serving clients across more than 13 countries with ongoing expansion in Asia, Latin America, the United States, and Europe.

Nostrum Biodiscovery delivers customer-tailored computational solutions that combine state-of-the-art proprietary and third-party software with the latest advances in artificial intelligence. Their approach uses best-in-class molecular modeling for data augmentation and fine-tuning of dedicated machine-learning algorithms, enabling highly specialized and efficient drug and molecule discovery workflows.

Core Solution Areas

• Discover: AI-powered molecular design methods for efficient screening of extensive libraries, covering small molecules, enzymes, and biologics.
• De Novo Design: Design of molecules from scratch — including proteins, ligands, enzymes, and nucleic acids — using advanced active learning generative models fueled by diverse data sources.
• Optimize: Optimization of any molecule to enhance activity, specificity, ADMET properties, and other key parameters using the company's proprietary platform and expertise.

Proprietary Technology Platform

• PELE: A proprietary Monte-Carlo based algorithm for molecular modeling, forming the computational backbone of Nostrum's platform. The latest release, PELE 1.9, features PELE Loop Closure, designed to improve conformational exploration of flexible loops in proteins and RNA.
• Nostrum Suite™: The company's integrated software platform, regularly updated with technical improvements and new capabilities.
• XNA-Hub: An in silico platform to model and investigate both natural and non-natural nucleic acids.
• Polyplat: A proprietary platform developed for effective polypharmacology applications.
• AI Algorithms: Dedicated AI and machine learning algorithms developed specifically for molecular modeling applications.

Molecular Focus Areas

• Small Molecules: Applications include targeted protein degradation, target selection, hit finding, hit-to-lead, and lead optimization.
• Proteins and Peptides: Capabilities span green energy, enzyme bioprospecting, antibody design, de novo protein design, and protein engineering.
• Nucleic Acids: Work covers oligonucleotides as drugs, RNA vaccines, splicing modulators, XNA synthesis machinery engineering, and high-performance molecular dynamics.

Engagement and Collaboration Models

• Services: Clients can delegate computational work entirely to Nostrum Biodiscovery while retaining full intellectual property rights.
• Licensing: Full licensing options are available for Nostrum's proprietary software tools.
• Co-Development: Collaborative partnerships where both parties work hand-in-hand and share IP.

Headquartered in Barcelona with new offices recently opened in Boston, USA, Nostrum Biodiscovery continues to grow its global presence. The company is actively recruiting talent and has been selected for the Programa Desafia Boston initiative to support its U.S. market expansion.