Research Scientist, Computational Enzymology

About the role

You will simulate enzyme-catalysed reactions from the physics up to map how reactions proceed in the active site and compute transition states. You will work closely with simulation, ML, and bench science teams to test predictions in vitro and refine models through fast feedback loops.

Responsibilities

• Characterise mechanisms, transition states, and activation barriers in the active site, and compare computed barriers against measured kinetics
• Pin down the origins of catalysis and use MD to understand how active-site motion shapes the reaction
• Turn results into concrete, testable proposals for the wet lab, and fold the resulting data back into your models
• Help physics-based and learned methods strengthen each other as we build them out

Required skills

• Enzymatic reaction modelling
• QM/MM
• Free energy methods
• Enzyme catalysis
• Kinetics
• Cofactors
• Conformational dynamics
• MD

Nice to have

• Protein design
• Enzymatic optimization
• Reactive machine-learned potentials

About the Company

Dayhoff Labs is a research-focused team reverse-engineering the origin of life using AI to orchestrate molecular networks. They operate with the rigor of a research institute and the shipping speed of an engineering firm, with headquarters in Cambridge, MA and London, UK.