Virtual Screening of Compound Libraries

• Type: Chapter or Part of a Book
• Date: 2010

Authors

cerqueira, nuno m. f. s. a. (Author) FCUP; sousa, sergio f. (Author) Other; fernandes, pedro a. (Author) FCUP; ramos, maria joao (Author) FCUP

Book

Title: Ligand-Macromolecular Interactions in Drug Discovery: Methods and Protocols

1º Edition

Pages: 57-70

ISBN: 978-1-60761-243-8

Publisher: Springer

Indexing

ISI Web of Knowledge

Scientific classification

FOS: Natural sciences > Chemical sciences

Other information

Authenticus ID: P-005-4F2

DOI: 10.1007/978-1-60761-244-5_4

Abstract (EN): During the last decade, Virtual Screening (VS) has definitively established itself as an important part of the drug discovery and development process. VS involves the selection of likely drug candidates from large libraries of chemical structures by using computational methodologies, but the generic definition of VS encompasses many different methodologies. This chapter provides an introduction to the field by reviewing a variety of important aspects, including the different types of virtual screening methods, and the several steps required for a successful virtual screening campaign within a state-of-the-art approach, from target selection to postfilter application. This analysis is further complemented with a small collection important VS success stories.

Language: English

Type (Professor's evaluation): Scientific