Protein Discovery and Engineering​

We harness computational methods to explore protein sequence, structure, and function, enabling the discovery of novel biomolecules and the rational engineering of proteins for applications in health, industry, and biotechnology.

Proteins are the fundamental molecular machines of life, governing virtually every biological process, from cellular signalling and metabolism to immunity and disease. Understanding how protein sequence determines structure and function remains one of the central challenges of modern bioscience. At the Computational Biomolecular Engineering Laboratory (CBEL), we integrate computational biology, bioinformatics, artificial intelligence, molecular modelling, and structural biology to accelerate the discovery, characterization, and rational engineering of proteins with applications in biotechnology, medicine, and environmental sustainability.

Our research combines sequence-based analysis, structural prediction, molecular dynamics simulations, and machine learning approaches to identify novel proteins, characterize their molecular mechanisms, and predict the impact of natural or engineered sequence variations. By exploring large-scale biological datasets and leveraging state-of-the-art computational tools, we uncover molecular features that govern protein stability, specificity, catalytic activity, and intermolecular interactions.

A major focus of our work is the rational design and optimization of proteins for real-world applications. These include the engineering of enzymes with improved catalytic properties, the development of proteins with enhanced therapeutic potential, and the identification of biomolecules capable of addressing emerging global challenges. Current research efforts span areas such as antimicrobial resistance, targeted protein degradation, biocatalysis, industrial biotechnology, and the discovery of enzymes for sustainable environmental applications.

We also develop computational pipelines that bridge fundamental and translational research, enabling the prioritization of experimental candidates while reducing the costs and time associated with laboratory screening. Through close collaboration with academic institutions, healthcare partners, and industry stakeholders, our work aims to transform molecular insights into innovative solutions that contribute to improved human health, sustainable bioprocesses, and the advancement of precision biotechnology.