Using molecular docking-based binding energy to predict toxicity of binary mixture with different binding sites

Article ID	Journal	Published Year	Pages	File Type
6310623	Chemosphere	2013	8 Pages	PDF

Abstract

âº We analyze toxicity process of single chemicals and their corresponding mixtures. âº We approximately quantify the toxicity effect of mixtures. âº We propose a QSAR model, even individual chemicals bind to different binding sites.

Keywords

LUC TMP CGS Trimethoprim AHS dhfr dhps Aldehydes Urea Triazines Sulfonamide cyanogenic luciferase Binding sites Binary mixtures

Related Topics

Life Sciences Environmental Science Environmental Chemistry

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Using molecular docking-based binding energy to predict toxicity of binary mixture with different binding sites

Authors

Zhifeng Yao, Zhifen Lin, Ting Wang, Dayong Tian, Xiaoming Zou, Ya Gao, Daqiang Yin,