Luise Jacobsen

Masters Student
Involved in projects

Department of Physics, Chemistry and Pharmacy
University of Southern Denmark



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.


Design of SARS-CoV-2 Main Protease Inhibitors Using Artificial Intelligence and Molecular Dynamic Simulations, Lars Elend, Luise Jacobsen, Tim Cofala, Jonas Prellberg, Thomas Teusch, Oliver Kramer, Ilia A. Solov'yov, Molecules, 27, 4020-(1-25), (2022)
Inhibition Mechanism of Antimalarial Drugs Targeting the Cytochrome bc1 Complex, Luise Jacobsen, Peter Husen, Ilia A. Solov'yov, Journal of Chemical Information and Modeling, 61, 1334-1345, (2021)