The last few years have seen the development of numerous deep learning-based protein–
ligand docking methods. They offer huge promise in terms of speed and accuracy. However …

G-protein-coupled receptors (GPCRs) are among the most intensely investigated drug
targets. The recent revolutions in protein engineering and molecular modeling algorithms …

Adenosine receptors (ARs) are a class of G-protein coupled receptors (GPCRs) that are
activated by the endogenous substance adenosine. ARs are classified into 4 subtype …

Virtual screening (VS) is a computational methodology that streamlines the drug discovery
process by reducing costs and required resources through the in silico identification of …

The number of entries in the Protein Data Bank (PDB) has doubled in the last decade, and it
has increased tenfold in the last twenty years. The availability of an ever-growing number of …

While a plethora of different protein–ligand docking protocols have been developed over the
past twenty years, their performances greatly depend on the provided input protein–ligand …

The functioning of GPCRs is classically described by the ternary complex model as the
interplay of three basic components: a receptor, an agonist, and a G protein. According to …

Adenosine deaminase converts adenosine into inosine. In contrast to adenosine, relatively
little attention has been paid to the physiological roles of inosine. Nevertheless, recent …

Human G protein-coupled receptors (hGPCRs) are the most frequent targets of Food and
Drug Administration (FDA)-approved drugs. Structural bioinformatics, along with molecular …

G protein-coupled receptors are involved in many biological processes, relaying the
extracellular signal inside the cell. Signaling is regulated by the interactions between …