Luise Jacobsen

Luise_image
Masters Student
Involved in projects

Department of Physics, Chemistry and Pharmacy
University of Southern Denmark

Email: lujac16@student.sdu.dk

Education:

2016-2019: Bachelor's in Physics, University of Southern Denmark (SDU)

2019-2021: Master’s in Physics, University of Southern Denmark (SDU)

Current project:

I work on an extensive and automated virtual drug screening procedure that through a series of increasingly refined steps, based on molecular docking, molecular dynamics simulation, and free energy perturbation, will create a straightforward pathway to obtain a potential drug candidate against a specified target.

Previous project:

Using molecular dynamics simulations, I investigated how specific mutations of the cytochrome bc1 complex in malarial parasites affect the inhibition mechanism of known malarial drugs in the complex.

Publications

Photodesorption mechanism of water on WO3(001) – a combined embedded cluster, computational intelligence and wave packet approach, Thomas Teusch, Thorsten Klüner, Physical Chemistry Chemical Physics, 22, 19267-19274, (2020)
Understanding the Water Splitting Mechanism on WO3(001)-A Theoretical Approach, Thomas Teusch, Thorsten Klüner, Journal of Physical Chemistry C, 123, 28233-28240, (2019)