Postdoctoral Research Associate, University of Manchester

From molecular mechanisms to therapeutic discovery

From molecular mechanisms to therapeutic discovery — I combine computational chemistry, pharmaceutical R&D experience and experimental biochemistry to study enzymes, proteins and molecular recognition, with applications in biocatalysis, biotechnology and drug discovery.

Sebastian Cuesta Hoyos
30+ peer-reviewed publications
MSCA Postdoctoral Fellowship awarded
10+ years computational chemistry experience
5+ years pharmaceutical R&D experience
Biocatalysis, drug discovery & protein science

Focus areas

What I work on

Enzyme discovery & biocatalysis

Exploring and engineering enzymes for selective transformations and therapeutic biosynthesis.

Enzyme discoveryBiocatalysisSubstrate scopeBiosynthesis
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Computational & AI-guided drug discovery

Applying molecular modelling, docking, molecular dynamics, quantum chemistry and machine learning to therapeutic discovery.

DockingMolecular dynamicsMachine learningQSAR
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Molecular mechanisms & protein science

Connecting chemical reactivity, biochemical function and molecular recognition across enzymes, proteins and drug-like molecules.

DFTReaction mechanismsSelectivityQuantum chemistry
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Selected work

Featured projects

All projects

Enzyme Engineering for the Biosynthesis of Therapeutics

Exploring, characterising and evolving enzymes involved in the biosynthesis of therapeutically relevant molecules, with emphasis on selectivity, substrate scope and biocatalytic potential.

Enzyme discoveryBiocatalysisSubstrate scopeBiosynthesis
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Computational and AI-Guided Drug Discovery

Using molecular modelling, docking, molecular dynamics, quantum chemistry and machine learning to explore therapeutic targets, predict molecular properties and support drug discovery workflows.

DockingMolecular dynamicsMachine learningQSAR
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Molecular Mechanisms and Chemical Reactivity

Investigating how molecular structure controls chemical reactivity, selectivity and biological function through quantum chemistry, molecular modelling and mechanistic reasoning.

DFTReaction mechanismsSelectivityQuantum chemistry
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Let's build something together — whether it's a collaboration, scientific consulting, or a biotech/pharma opportunity, I'd love to hear from you.