My research is focused on computational enzymology, specifically on applying multiscale modelling techniques for elucidating enzymatic reactions. I am currently studying the heat shock protein 90 (Hsp90), which is a 90 kDa homodimeric molecular chaperone. Hsp90 couples large conformational changes to ATP binding and hydrolysis, which ultimately results in folding of the client proteins. However, Hsp90 is a rather sluggish enzyme with slow ATP hydrolysis rates. My aim is to study the conformational dynamics of Hsp90 using a combination of atomistic molecular dynamics simulations together with QM/MM reaction modelling to elucidate the fundamental principles behind the function of this complex enzyme.
Find a complete list of my publications on Google Scholar!
2017-2021 PhD Biochemistry, University of Bristol
2016-2017 MSc in Theoretical and Computational Chemistry, University of Oxford
2012-2016, BSc Chemistry, University of Helsinki
Research group: Ville Kaila