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. © 2008 IEEE.
CITATION STYLE
Boisson, J. C., Jourdan, L., Talbi, E. G., & Horvath, D. (2008). Parallel multi-objective algorithms for the molecular docking problem. In 2008 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, CIBCB ’08 (pp. 187–194). https://doi.org/10.1109/CIBCB.2008.4675777
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