Hruška Lab

Computational pharmaceutical science

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Research lab investigating drug-protein interactions and drug metabolism with the help of high-throughput atomistic simulation and machine learning.
Located at Faculty of Pharmacy, Charles University in Hradec Králové, Czech Republic.
Research results are described in section Research.

Open PhD position

The determination of drug metabolism is a critical step in drug development. While in silico prediction of drug metabolism is promising, currently it is limited by frequent false positives. The goal of this work is to improve high-throughput prediction of chemical reactions during drug metabolism. The methods will focus on machine learning and atomistic simulation.