Computer-aided drug discovery techniques reduce the time and the costs needed to
develop novel drugs. Their relevance becomes more and more evident with the needs due …

This chapter is a review of the most recent developments in the field of pharmacophore
modeling, covering both methodology and application. Pharmacophore-based virtual …

The pharmacophore concept is of central importance in computer-aided drug design
(CADD) mainly because of its successful application in medicinal chemistry and, in …

Parallel screening comprises a novel in silico method to predict the potential biological
activities of a compound by screening it with a multitude of pharmacophore models. Our aim …

Pharmacophore-based techniques currently are an integral part of many computer-aided
drug design workflows and have been successfully and extensively applied for tasks such …

This review summarizes the background and updated progress of pharmacophore based
drug design and provides the fundamental approach strategies on both structure based and …

Virtual screening (VS) is an important component of cheminformatics and molecular
modeling. An abundance of structural information, indicated by both the ever-increasing …

A pharmacophore describes the framework of molecular features that are vital for the
biological activity of a compound. Pharmacophore models are built by using the structural …

The present volume of the series" Methods and Principles in Medicinal Chemistry" focuses
on a timely topic: Virtual Screening. This new branch of Medicinal Chemistry represents an …

Different methods of virtual screening as a tool for lead structure discovery are described.
They range from structure based docking procedures to ligand based methods such as the …