M. Baaden

Between two walls: Modeling the adsorption behavior of Beta-glucosidase A on bare and SAM-functionalised gold surfaces

This study models how Beta-glucosidase A adsorbs on bare and SAM-functionalized gold surfaces using molecular dynamics and Brownian dynamics simulations, showing that bare gold provides more stable but less specific adsorption.

A large disordered region confers a wide spanning volume to vertebrate Suppressor of Fused as shown in a trans-species solution study.

The paper compares the solution structures of SuFu from drosophila, zebrafish, and human, showing that vertebrate SuFu's IDR2 spans a large volume, enabling functional interactions and post-translational modifications.

Implicit modeling of the impact of adsorption on solid surfaces for protein mechanics and activity with a coarse-grain representation

The paper models how adsorption affects protein mechanics and activity using a coarse-grain approach, showing orientation and anchor residues influence rigidity and catalytic function.

FAIR sharing of molecular visualization experiences: from pictures in the cloud to collaborative virtual reality exploration in immersive 3D environments

The paper describes a method to share molecular visualization experiences using FAIR principles, exemplified with Covid-19 structural data through UnityMol software.

Glutathionylation primes soluble GAPDH for late collapse into insoluble aggregates

This study shows that glutathionylation of AtGAPC1 in Arabidopsis primes it for aggregation, leading to insoluble, inactive protein chains.