Lucie Delemotte

The paper identifies a common evolutionary mechanism for class A GPCR activation using coevolution and machine learning, validated through molecular dynamics simulations and ligand effect modeling.

This study uses simulations to show that phosphatidylserine induces conformational changes in ADAM10, leading to its activation and reduced antibody binding.

The paper identifies a constitutively active mutant of the dopamine D2 receptor using computational methods and experimental validation.

This study investigates how KCNE1 and KCNE3 modulate KCNQ1 gating through PIP2-dependent mechanisms, revealing distinct roles in voltage sensitivity and GPCR regulation across cell types.

This study uses molecular dynamics simulations to uncover the molecular mechanisms of ligand activation in the D2 dopamine receptor and identifies differences in activation mechanisms between dopamine and adrenergic receptors.

The paper identifies proton-sensing mechanisms in GPCRs using cryo-EM and deep mutational scanning, revealing a network of residues rather than a single site for proton recognition.

This study uses super resolution microscopy to observe Arc high-order oligomers in excitatory synapses, revealing their role in AMPA receptor dynamics.

This paper introduces a coevolution-driven method to simulate protein conformational changes, revealing ligand effects on the beta2AR receptor's activation and signaling pathways.

The paper indexes and analyzes 250,000 molecular dynamics simulation files to create a search engine prototype for MD data.

This study reports cryo-EM structures of NhaA and NHE9 with lipid binding at the dimer interface, showing PI(3,5)P2 stabilizes NHE9 oligomerization and enhances activity.