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Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecule based inhibitors against metallothionein-III to study Alzheimer's disease

Sudeep Roy, Akhil Kumar, Ivo Provaznik. Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecule based inhibitors against metallothionein-III to study Alzheimer's disease. In Huiru Jane Zheng, Werner Dubitzky, Xiaohua Hu, Jin-Kao Hao, Daniel Berrar, Kwang-Hyun Cho, Yadong Wang, David Gilbert, editors, 2014 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2014, Belfast, United Kingdom, November 2-5, 2014. pages 352-356, IEEE, 2014. [doi]

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