Structural analysis of neomycin B and kanamycin A binding Aminoglycosides Modifying Enzymes (AME) and bacterial ribosomal RNA.
Aminoglycosides are crucial antibiotics facing challenges from bacterial resistance.
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.
Ultralarge chemical spaces describing several billion compounds are revolutionizing hit identification in early drug discovery.
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.
On-demand combinatorial spaces are shifting paradigms in early drug discovery, by considerably increasing the searchable chemical space to several billions of compounds while …
The fragment approach has emerged as a method of choice for drug design, as it allows difficult therapeutic targets to be addressed.
G protein-coupled receptors are involved in many biological processes, relaying the extracellular signal inside the cell.
We here describe a computational approach (POEM: Pocket Oriented Elaboration of Molecules) to drive the generation of target-focused libraries while taking advantage of all …
With the exponential increase in publicly available protein structures, the comparison of protein binding sites naturally emerged as a scientific topic to explain observations or …