Schistosoma mansoni NAD+ catabolizing enzyme (SmNACE), a distant homolog of mammalian CD38, shows significant structural and functional analogy to the members of the …
Maraviroc is a nonpeptidic small molecule human immunodeficiency virus type 1 (HIV-1) entry inhibitor that has just entered the therapeutic arsenal for the treatment of patients.
CD38 is a multifunctional enzyme which is ubiquitously distributed in mammalian tissues.
Schistosomiasis is a major tropical parasitic disease.
Chemogenomics is an emerging interdisciplinary field aiming at identifying all possible ligands of all possible targets.
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.
Eight docking programs (DOCK, FLEXX, FRED, GLIDE, GOLD, SLIDE, SURFLEX, and QXP) that can be used for either single-ligand docking or database screening have been compared for …
The aim of the current study is to investigate whether homology models of G-Protein-Coupled Receptors (GPCRs) that are based on bovine rhodopsin are reliable enough to be used for …
Protein-based virtual screening of chemical libraries is a powerful technique for identifying new molecules that may interact with a macromolecular target of interest.