Drug discovery is all about finding small molecules that interact in a desired way with larger molecules, namely proteins and other macromolecules in the human body. If the three-dimensional structures of both the small and large molecule are known, their interaction can be test…
A comprehensive and up-to-date overview, this is both a desktop reference and practical guide for virtual screening applications in drug discovery. Clearly divided into three major sections, the first on principles provides a detailed description of the methods required for and …
