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.
G protein-coupled receptors are involved in many biological processes, relaying the extracellular signal inside the cell.
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 …
Abstract Structure-based ligand design requires an exact description of the topology of molecular entities under scrutiny.
Recently, we have demonstrated that site comparison methodology using flavonoid biosynthetic enzymes as the query could automatically identify structural features common to …
Protein-protein interfaces represent challenging but very promising targets to discover novel drugs with exquisite specificity profiles.
Abstract Despite the availability of X-ray crystal structure data for several members of the G-protein-coupled receptor (GPCR) superfamily, structure-based discovery of GPCR …
The current study describes the validation of high-throughput modeling procedures for the construction of the second extracellular loop (ecl2) of all nonolfactory human G …
Paradigms in drug design and discovery are changing at a significant pace.
The concomitant development of in silico screening technologies and of three-dimensional information on therapeutically relevant macromolecular targets makes it possible to …
The Protein Data Bank (PDB) has been processed to extract a screening protein library (sc-PDB) of 2148 entries.