Computational screening of compound databases has become increasingly popular in
pharmaceutical research. Virtual screening approaches can roughly be divided into target …

Computational screening of compound databases has become increasingly popular in
pharmaceutical research. This review focuses on the evaluation of ligand-based virtual …

Virtual screening (VSa) of compound databases has become a popular hit identification
technique and a major playground for computational method development. 1 Relevant …

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 …

Computational screening of databases has become increasingly popular in the
pharmaceutical research. Virtual screening uses computer based methods to discover new …

The majority of drug targets for small molecule therapeutics are proteins whose three-
dimensional structure is not known to sufficient resolution to permit structure-based design …

Today, computational methods are commonly used in all areas of health science research.
Among these methods, virtual ligand screening has become an established technique for hit …

Virtual screening is a much discussed topic in chemoinformatics and medicinal chemistry,
and widely applied in pharmaceutical research. Here, we provide an in-depth analysis of …

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 …

Abstract Structure‐and ligand‐based virtual‐screening methods (docking, 2D‐and 3D‐
similarity searching) were analysed for their effectiveness in virtual screening against four …