Research Scientist, Computational Enzymology

About usWe're reverse-engineering the origin of life - one of the great unsolved problems in science, and one we think AI finally makes tractable. Understanding this transition, from geochemistry to biochemistry, is what will let us orchestrate molecular networks and build systems that are more capable, adaptive, and efficient.If we succeed, the applications are vast: catalysis, green synthesis, ab initio synthetic biology, programmable matter. Understanding and harnessing these processes could let ten billion of us thrive on this planet - and let life keep evolving beyond it.We're a small, diverse team of AI engineers, computational scientists, and bench scientists.

We hold ourselves to the rigor of a research institute, but we ship like an engineering firm. Global team, HQs in Cambridge, MA and London, UK.The roleYou'll simulate enzyme-catalysed reactions from the physics up. Using reactive and free-energy methods you'll map how reactions proceed in the active site, compute transition states and barriers, and work out where the catalysis actually comes from: why a step has the barrier it does, which residues do the work, and how mutations move it.

You'll work with the wider simulation and ML teams, but also directly with our bench scientists - seeing your predictions tested in vitro and getting experimental feedback on fast, tight loops.What you'll doCharacterise mechanisms, transition states, and activation barriers in the active site, and compare computed barriers against measured kineticsPin down the origins of catalysis - the residues, interactions, and dynamics that set rate and selectivity - and use MD to understand how active-site motion shapes the reactionTurn results into concrete, testable proposals for the wet lab, and fold the resulting data back into your modelsHelp physics-based and learned methods strengthen each other as we build them outEssential experience.Expertise in enzymatic reaction modelling using QM/MM and a variety of free energy methodsA solid grasp of enzyme catalysis: mechanism, kinetics, cofactors, and how active-site chemistry and conformational dynamics sets rate and selectivitySound judgement about method selection, good understanding o methodological limitations and computational costHighly preferredExperience in protein design for enzymatic optimizationYou've run design - test - refine cycles with a wet lab beforeExperience with reactive machine-learned potentials, or coupling physics-based modelling with MLLogisticsCompensation is highly competitive. We're also able to sponsor visas for the right candidate.Find more English Speaking Jobs in United Kingdom on Arbeitnow