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) 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 …

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 …

In this review, several aspects of virtual screening are presented. Although, docking and
scoring have been the most widely employed techniques, ligand-based virtual screening …

Virtual (database) screening (VS) of molecules promises to accelerate the discovery of new
drugs and reduce costs by identifying molecules with high probabilities of binding to a target …

Structure-based virtual screening (SBVS) utilizing docking algorithms has become an
essential tool in the drug discovery process, and significant progress has been made in …

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 …

Drug discovery is a highly complex and costly process, which demands integrated efforts in
several relevant aspects involving innovation, knowledge, information, technologies …

Introduction: Docking and structure-based virtual screening (VS) have been standard
approaches in structure-based design for over two decades. However, our understanding of …