The drug development process is a major challenge in the pharmaceutical industry since it
takes a substantial amount of time and money to move through all the phases of developing …

Drug discovery and repositioning are important processes for the pharmaceutical industry.
These processes demand a high investment in resources and are time-consuming. Several …

Abstract Structure-based virtual screening (SBVS) has been widely applied in early-stage
drug discovery. From a problem-centric perspective, we reviewed the recent advances and …

Abstract Structure-based virtual screening (SBVS) is a computational approach used in the
early-stage drug discovery campaign to search a chemical compound library for novel …

Structure-based virtual screening (VS) is a widely used approach that employs the
knowledge of the three-dimensional structure of the target of interest in the design of new …

The identification and optimization of lead compounds are inalienable components in drug
design and discovery pipelines. As a powerful computational approach for the identification …

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

Virtual screening methods are commonly used nowadays in drug discovery processes.
However, to ensure their reliability, they have to be carefully evaluated. The evaluation of …

Interest in docking technologies has grown parallel to the ever increasing number and
diversity of 3D models for macromolecular therapeutic targets. Structure-Based Virtual …

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 …