B. Schiott

Structural Determinants for Activity of the Antidepressant Vortioxetine at Human and Rodent 5-HT3 receptors

This study investigates how vortioxetine interacts with human and rodent 5-HT3 receptors, revealing structural differences and mechanisms of action.

Potentiation of drug toxicity through virus latency reversal promotes preferential elimination of HIV infected cells

The paper demonstrates that latency reversal enhances the toxicity of HIV protease-activated toxins, preferentially eliminating HIV-infected cells in mixed populations.

Beneficent and maleficent effects of cations on bufadienolide binding to Na+,K+-ATPase

The paper investigates how different cations affect bufadienolide binding to Na+,K+-ATPase using docking and molecular dynamics simulations, revealing electrostatic and structural effects of cations on the binding site.

Molecular mechanism of high affinity sugar transport in plants unveiled by structures of glucose/H+ symporter STP10

The paper presents crystal structures of Arabidopsis thaliana STP10 and explains the molecular mechanism of high-affinity sugar transport and proton coupling in plants.

Substrate Recognition by γ-Glutamyltransferase: A Molecular Dynamics Simulations Study

This study uses molecular dynamics simulations to investigate how Escherichia coli GGT recognizes glutamine, identifying structural motifs and conformational dynamics that govern substrate binding.

Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations

This study integrates NMR, SAXS, SANS, and molecular dynamics simulations to characterize the structure and dynamics of two nanodiscs, revealing conformational heterogeneity and lipid ordering differences.