CCR5 exists in a mosaic of distinct membrane-associated functional states, differentially accessed by viral and endogenous ligands. This spatial and signaling compartmentalization …
The scaffold-based and the reaction-based approaches to virtual library creation, analyzed here using ≈1.5 million amide and sulfonamide products, generate distinct ensembles when …
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 …
G protein-coupled receptors (GPCRs) constitute a functionally diverse protein family and are targets for a broad spectrum of pharmaceuticals.
A chemical library is a key element in the early stages of pharmaceutical research.
Aminoglycosides are crucial antibiotics facing challenges from bacterial resistance.
AlphaFold and AlphaFold-Multimer have become two essential tools for the modeling of unknown structures of proteins and protein complexes.
Agonists of the β2 adrenergic receptor (ADRB2) are an important class of medications used for the treatment of respiratory diseases.
The chemokine system is a key player in the functioning of the immune system and a sought-after target for drug candidates.
The fragment approach has emerged as a method of choice for drug design, as it allows difficult therapeutic targets to be addressed.