VIRTUAL SCREENING IN DRUG DESIGN - OVERVIEW OF MOST FREQUENT TECHNIQUES
Tomáš Kučera · Military Medical Science Letters · 2016
New and modern techniques of drug design are extensively used in parallel or instead of the classic ones.Applicability of virtual screening (VS) is growing with the computational performance.This article includes list and short description of most frequent used methods in VS.These methods are divided into two groups -ligand-based VS and structure-based VS.Ligand based methods include chemical similarity, pharmacophore and quantitative structure-activity relationship.Molecular docking and scoring are methods of the structure-based VS.