Multi-scale optimization model and algorithm for computer-aided molecular docking

Abstract

A multi-scale optimization model and algorithm are presented into molecular docking problem. In this model, a concept of residue groups based on induced-fit is introduced to the refined docking design. An adaptive evolution algorithm is developed to address the optimization problem. Multi-population evolution and information entropy-based searching… (More)
DOI: 10.1109/ICNC.2012.6234681

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