iiinova — where your digital self keeps evolving

lorenzlab1.bsky.social

@lorenzlab1.bsky.social

lorenzlab1.bsky.social @lorenzlab1.bsky.social · 13/02/2025

Our latest manuscript to be published introduces PUCHIK (bit.ly/3QeqbT4), a novel & efficient Python package designed for the analysis of molecular dynamics simulations of nanoparticles, w/ a focus on accurately describing the interfaces of aspherical nanoparticles. 1/10

111

lorenzlab1.bsky.social @lorenzlab1.bsky.social · 11/02/2025

Our latest manuscript presents the most recent tools available in the PySoftK software package (bit.ly/4jQps8i). PySoftK now helps scientists analyse molecular simulations of soft materials, w/ tools for analysing interfaces, molecular interactions, & self-assembly 1/7

bit.ly

Automated Analysis of Soft Matter Interfaces, Interactions, and Self-Assembly with PySoftK

Molecular dynamics simulations have become essential tools in the study of soft matter and biological macromolecules. The large amount of high-dimensional data associated with such simulations does n...

111

lorenzlab1.bsky.social @lorenzlab1.bsky.social · 10/02/2025

Our latest manuscript has been published in Langmuir: bit.ly/4hMNBuy. In this manuscript we show that thanatin, a naturally occurring antimicrobial peptide, punches holes & disrupts bacterial membranes through multiple mechanisms, causing them to break apart 1/3

111

lorenzlab1.bsky.social @lorenzlab1.bsky.social · 29/01/2025

Our latest manuscript is now available in Biochemistry @acs.org (bit.ly/3Ct1PSm) In it we show that C-terminal amidation of an antimicrobial peptide increases its conformational flexibility, which improves membrane penetration, leads to faster bacterial killing & better selectivity for pathogens.

174