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. Author manuscript; available in PMC: 2019 Nov 1.
Published in final edited form as: Toxicol Sci. 2018 Nov 1;166(1):131–145. doi: 10.1093/toxsci/kfy186

Figure 1.

Figure 1

Schematic of approach using in silico site-directed mutagenesis coupled with docking simulations of computational models for acetylcholinesterase (AChE) and ecdysone receptor (EcR) to investigate how specific amino acid substitutions impact protein-chemical interaction to develop automated Level 3 susceptibility predictions for incorporation into SeqAPASS v.3.0.