O. Fleetwood

Allosteric effect of nanobody binding on ligand-specific active states of the β2-Adrenergic Receptor

This study investigates how nanobody binding stabilizes the active state of the β2-adrenergic receptor and modulates ligand affinity through conformational changes and allosteric signaling.

Identification of ligand-specific G-protein coupled receptor states and prediction of downstream efficacy via data-driven modeling

This study uses molecular dynamics simulations to model GPCR states and predict downstream efficacy based on ligand interactions.

Network analysis reveals how lipids and other cofactors influence membrane protein allostery

The paper extends residue interaction networks to include lipids and small molecules, showing their role in membrane protein allostery using three protein examples.

Molecular insights from conformational ensembles via Machine Learning

This paper applies machine learning to analyze molecular simulations, identifying interpretable features in biomolecular processes like ligand binding and voltage sensing.

Energy landscapes reveal agonist control of GPCR activation via microswitches

The paper uses molecular dynamics simulations to show how agonist binding to GPCRs controls activation through microswitches that couple extracellular and intracellular conformational changes.