Virtual Screening of Compound Libraries

• Tipo: Capítulo ou Parte de Livro
• Data: 2010

Autores

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

Livro

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

1º Edição

Páginas: 57-70

ISBN: 978-1-60761-243-8

Editora: Springer

Indexação

ISI Web of Knowledge

Classificação Científica

FOS: Ciências exactas e naturais > Química

Outras Informações

ID Authenticus: 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.

Idioma: Inglês

Tipo (Avaliação Docente): Científica