Virtual screening techniques continue to play an important role within the pharmaceutical
industry lead discovery process. A core element of these technologies encompasses the …

In contrast to high-throughput screening, in virtual ligand screening (VS), compounds are
selected using computer programs to predict their binding to a target receptor. A key …

There are several methods for virtual screening of databases of small organic compounds to
find tight binders to a given protein target. Recent reviews in Drug Discovery Today have …

Virtual screening (VS) overcomes the limitations of traditional high-throughput screening
(HTS) by applying computer-based methods in drug discovery. VS takes advantage of fast …

Virtual screening (VS) in the context of drug discovery is the use of computational methods
to discover novel ligands with a desired biological activity from within a larger collection of …

An important element of any structure-based virtual screening (SVS) technique is the
method used to orient the ligands in the target active site. This has been a somewhat …

Virtual screening (VS) is a powerful technique for identifying hit molecules as starting points
for medicinal chemistry. The number of methods and softwares which use the ligand and …

Ligand conformational flexibility has long been recognized as an important issue in virtual
screening (VS). To this end, a number of different methodologies have been adapted to …

The aim of virtual high-throughput screening is the identification of biologically relevant
molecules among either tangible or virtual (large) collections of compounds. Likewise, high …

Virtual screening can be considered as in silico analog to high‐throughput screening. It is a
knowledge‐driven approach toward finding new lead structures for drug discovery. There …