Modern strategies of computer-aided drug design (CADD) are reviewed. The task of CADD
in the pipeline of drug discovery is accelerating of finding the new lead compounds and their …

New drug discovery is based on analysis of existing information about the pathological
mechanisms, molecular targets, and ligands, which can interact with particular targets thus …

The advent of high-performance computing has increased the role of computer application
as a tool for in silico experiments in all research areas, including drug discovery. This …

The development of new drugs with potential therapeutic applications is one of the most
complex and difficult process in the pharmaceutical industry. Millions of dollars and man …

Drug discovery is an exhaustive and time-consuming process involving numerous stages
like target identification, validation, lead optimization, preclinical trials, clinical trials and …

Introduction: Structure-based drug design is a wide area of identification of selective
inhibitors of a target of interest. From the time of the availability of three dimensional …

The application of computational approaches in drug discovery has been consolidated in
the last decades. These families of techniques are usually grouped under the common …

The computer-aided drug design uses computational approaches for analysis of target,
screening, and interaction of ligands, simulation of target–ligand complex, optimization of …

The current state of description of molecular structure in computer-aided molecular design of
biologically active compounds by means of descriptors is analysed. The information …

The drug discovery paradigm has been very time-consuming, challenging, and expensive;
however, the disease conditions originating from bacteria, virus, protozoa, fungus and other …