Predicting in silico electron ionization mass spectra using quantum chemistry
Wang, Shunyang, Kind, Tobias, Tantillo, Dean J., Fiehn, Oliver
Published in Journal of cheminformatics (20.10.2020)
Published in Journal of cheminformatics (20.10.2020)
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How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra
Bremer, Parker Ladd, Vaniya, Arpana, Kind, Tobias, Wang, Shunyang, Fiehn, Oliver
Published in Journal of chemical information and modeling (12.09.2022)
Published in Journal of chemical information and modeling (12.09.2022)
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Analogies between photochemical reactions and ground-state post-transition-state bifurcations shed light on dynamical origins of selectivity
Feng, Zhitao, Guo, Wentao, Kong, Wang-Yeuk, Chen, Dongjie, Wang, Shunyang, Tantillo, Dean J.
Published in Nature chemistry (01.04.2024)
Published in Nature chemistry (01.04.2024)
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Quantum Chemistry Calculations for Metabolomics
Borges, Ricardo M, Colby, Sean M, Das, Susanta, Edison, Arthur S, Fiehn, Oliver, Kind, Tobias, Lee, Jesi, Merrill, Amy T, Merz, Jr, Kenneth M, Metz, Thomas O, Nunez, Jamie R, Tantillo, Dean J, Wang, Lee-Ping, Wang, Shunyang, Renslow, Ryan S
Published in Chemical reviews (26.05.2021)
Published in Chemical reviews (26.05.2021)
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Multi-Objective Decision-Making Evaluation Method of Environmental Impact Associated with the Life Cycle of Agro-Friendly Biochar Materials
Wang, Shunyang, Wei, Jing, Li, Hua, Ding, Da, Zhang, Yaxin, Zhu, Yuen, Deng, Shaopo, Luo, Yongming
Published in Agronomy (Basel) (01.11.2024)
Published in Agronomy (Basel) (01.11.2024)
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Computational exploration of reactive fragment for mechanism-based inhibition of xanthine oxidase
Du, Ye, Liu, Ziye, Qiao, Fangfang, Wang, Shunyang, Chen, Kai, Zhang, Xinhao
Published in Journal of organometallic chemistry (01.06.2018)
Published in Journal of organometallic chemistry (01.06.2018)
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Quantum Chemistry Calculations for Metabolomics: Focus Review
Borges, Ricardo M, Colby, Sean M, Das, Susanta, Edison, Arthur S, Fiehn, Oliver, Kind, Tobias, Lee, Jesi, Merrill, Amy T, Merz, Kenneth M, Metz, Thomas O, Nunez, Jamie R, Tantillo, Dean J, Wang, Lee-Ping, Wang, Shunyang, Renslow, Ryan S
Published in Chemical reviews (26.05.2021)
Published in Chemical reviews (26.05.2021)
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Metabolic Control of Glycosylation Forms for Establishing Glycan-Dependent Protein Interaction Networks
Liu, Xingyu, Yi, Li, Lin, Zongtao, Chen, Siyu, Wang, Shunyang, Sheng, Ying, Lebrilla, Carlito B, Garcia, Benjamin A, Xie, Yixuan
Published in bioRxiv (01.11.2024)
Published in bioRxiv (01.11.2024)
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Development and application of GlycanDIA workflow for glycomic analysis
Xie, Yixuan, Liu, Xingyu, Zhao, Chenfeng, Chen, Siyu, Wang, Shunyang, Lin, Zongtao, Robison, Faith M, George, Benson M, Flynn, Ryan A, Lebrilla, Carlito B, Garcia, Benjamin A
Published in bioRxiv (13.03.2024)
Published in bioRxiv (13.03.2024)
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