Parallel multi-objective algorithms for the molecular docking problem

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Molecular docking is an essential tool for drug design. It helps the scientist to rapidly know if two molecules, respectively called ligand and receptor, can be combined together to obtain a stable complex. We propose a new multi-objective model combining an energy term and a surface term to gain such complexes. The aim of our model is to provide complexes with a low energy and low surface. This model has been validated with two multi-objective genetic algorithms on instances from the literature dedicated to the docking benchmarking.
Computational Intelligence in Bioinformatics and Bioengineering (CIBCB08) (2008)

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Quantitative Methods

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http://salesiana.dossiersoluciones.com/handle/123456789/173165

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/0811.0514
 http://arxiv.org/abs/0811.0514

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arXiv