Parallel multi-objective algorithms for the molecular docking problem

Details Parallel multi-objective algorithms for the molecular docking problem Parallel multi-objective algorithms for the molecular docking problem

2008-11-04

arxiv.org/abs/0811.0514v1

Biology

Quantitative Biology

Quantitative Methods

Computational Intelligence in Bioinformatics and Bioengineering (CIBCB08) (2008)

Scientific paper

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.

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