Title :
Application of Computer Modelling in Predicting Endocrine Disrupting Chemicals Functions
Author :
Yan Shuxun ; Wang Ying ; Li Huan ; Li Yun
Author_Institution :
Henan Coll. of Traditional Chinese Med., Zhengzhou, China
Abstract :
Crystal structures of proteins are necessary in controlling the mechanism between Endocrine Disrupting Chemicals and protein receptors. However there lacks the researches protein structures delay. The strategy of computing including homology modelling and docking method can be used to fill up the gap. Up to now, homology modelling is the best way to obtain useful structures. Meanwhile docking is used in protein ligand researches. The corresponding computational tools are helpful to carry on the research on the endocrine disrupting mechanism which is triggered by receptor ligand interaction.
Keywords :
biology computing; molecular biophysics; molecular configurations; proteins; computational tools; computer modelling; crystal structures; docking method; endocrine disrupting chemical function prediction; endocrine disrupting mechanism; homology modelling; protein ligand research; protein receptors; protein structures; receptor ligand interaction; Chemicals; Crystals; Drugs; Predictive models; Proteins; Coding; Image Compression; Quantization; Wavelet Coefficients; Wavelet Transform;
Conference_Titel :
Intelligent Systems Design and Engineering Applications, 2013 Fourth International Conference on
Conference_Location :
Zhangjiajie
Print_ISBN :
978-1-4799-2791-3
DOI :
10.1109/ISDEA.2013.436