Birgit Strodel

Lipopolysaccharide chain length and coat assembly keep guanylate-binding proteins upright on bacterial membranes

This study uses molecular dynamics simulations to show that open-state GBP1 and GBP2 require specific membrane environments to remain stable on bacterial membranes.

Structural Basis for the Rational Design of UAMC-1110-Based FAP Radiopharmaceuticals

This study identifies a stable charge-anchored binding mode for FAP ligands, providing a framework for designing effective radiopharmaceuticals.

Exopolysaccharide export complex PelBC of Pseudomonas aeruginosa attenuates the dynamics of the surrounding outer membrane

The paper examines the structure and function of the PelBC export complex in Pseudomonas aeruginosa, showing how it stabilizes outer membrane lipids and guides polysaccharide export.

Glycosaminoglycans Promote Amyloid-β Aggregation via Multivalent, pH-Dependent Interactions

This study shows glycosaminoglycans promote amyloid-β aggregation under acidic conditions through pH-dependent electrostatic interactions and multivalency.

Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations

This study uses QM/MM simulations to analyze PET degradation mechanisms in PET hydrolases, revealing conformational changes and the impact of QM methods on reaction pathways.

From Bulk to Binding: Decoding the Entry of PET into Hydrolase Binding Pockets

The paper uses molecular dynamics simulations to uncover the binding pathway of PET hydrolases into PET material and identifies key residues affecting PET entry.

TransMEP: Transfer learning on large protein language models to predict mutation effects of proteins from a small known dataset

TransMEP uses transfer learning with Gaussian process regression to predict mutation effects from small datasets, showing improved performance over previous methods in protein engineering.