Chiesa, L.

Modeling Active-State Conformations of G-Protein-Coupled Receptors Using AlphaFold2 via Template Bias and Explicit Protein Constrains.

AlphaFold2 and other deep learning tools represent the state of the art for protein structure prediction; however, they are still limited in their ability to model multiple …

Chiesa, L.

Benchmarking AlphaFold-Generated Structures of Chemokine-Chemokine Receptor Complexes.

AlphaFold and AlphaFold-Multimer have become two essential tools for the modeling of unknown structures of proteins and protein complexes.

Urvas, L.

Predicting the duration of action of β2-adrenergic receptor agonists: Ligand and structure-based approaches.

Agonists of the β2 adrenergic receptor (ADRB2) are an important class of medications used for the treatment of respiratory diseases.

Chiesa, L.

Mining the Protein Data Bank to inspire fragment library design.

The fragment approach has emerged as a method of choice for drug design, as it allows difficult therapeutic targets to be addressed.

Revillo Imbernon, J.

One class classification for the detection of β2 adrenergic receptor agonists using single-ligand dynamic interaction data.

G protein-coupled receptors are involved in many biological processes, relaying the extracellular signal inside the cell.

Chiesa, L.