Luise Jacobsen

Masters Student

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.


Introducing the Automated Ligand Searcher, Luise Jacobsen, Jonathan Hungerland, Vladimir Bačić, Luca Gerhards, Fabian Schuhmann, Ilia A. Solov'yov, Journal of Chemical Information and Modeling, 63, 7518-7528, (2023)
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)
Development of an Improved and Automated Hybrid Docking Method for Computationally Aided Drug Design, Luise Jacobsen, Odense, Denmark, 1 — 76, Masters Thesis, University of Southern Denmark, (2021)