Jesper J. Madsen

This paper optimizes a coarse-grained lipid model for large-scale membrane protein simulations and demonstrates its application to study PIEZO-induced membrane deformation.

This study uses molecular dynamics simulations to analyze the dynamic behavior of S. aureus Type I signal peptidases SpsA and SpsB, including the impact of the P29S mutation on their structure and function.

This study identifies SpsB as a key regulator that coordinates surface protein septal trafficking, cell cycle, and LTA synthesis in Staphylococcus aureus.

This study evaluates polarizable lipid force fields against experimental data and finds non-polarizable models often perform better despite higher computational cost.

This study shows that non-active site mutations in SARS-CoV-2 Mpro enhance dimer-dimer interactions, aiding substrate binding and resistance to nirmatrelvir.