Bio-inspired algorithms applied to molecular docking simulations.

Abstract:

:Nature as a source of inspiration has been shown to have a great beneficial impact on the development of new computational methodologies. In this scenario, analyses of the interactions between a protein target and a ligand can be simulated by biologically inspired algorithms (BIAs). These algorithms mimic biological systems to create new paradigms for computation, such as neural networks, evolutionary computing, and swarm intelligence. This review provides a description of the main concepts behind BIAs applied to molecular docking simulations. Special attention is devoted to evolutionary algorithms, guided-directed evolutionary algorithms, and Lamarckian genetic algorithms. Recent applications of these methodologies to protein targets identified in the Mycobacterium tuberculosis genome are described.

journal_name

Curr Med Chem

authors

Heberlé G,de Azevedo WF Jr

doi

10.2174/092986711795029573

subject

Has Abstract

pub_date

2011-01-01 00:00:00

pages

1339-52

issue

9

eissn

0929-8673

issn

1875-533X

pii

BSP/CMC/E-Pub/2011/ 086

journal_volume

18

pub_type

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