Master Project
Peter Bolhuis

The emergence of (auto)catalysis

In this fundamental research project the student will elucidate how catalysis emerges by applying a novel method to optimise molecular models so that they have desired kinetic properties, such as catalysis.

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Master Project
Peter Bolhuis

Incorporating experimental kinetic constraints in molecular dynamics simulations

In this project the student will apply a novel method to incorporate experimental kinetic rate constants in molecular dynamics simulation, using data generated with simple (toy) models, and existing molecular dynamics data on protein folding and conformational changes, together with existing experimental measurements. The project requires some programming skills, knowledge of python. Affinity with theory and mathematical modeling is recommended.

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