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Shunyang Wang - Publications

Affiliations: 
University of California, Davis, Davis, CA 
Area:
Molecular dynamics, Metabolomics
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8 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Xie Y, Liu X, Zhao C, Chen S, Wang S, Lin Z, Robison FM, George BM, Flynn RA, Lebrilla CB, Garcia BA. Development and application of GlycanDIA workflow for glycomic analysis. Biorxiv : the Preprint Server For Biology. PMID 38559279 DOI: 10.1101/2024.03.12.584702  0.303
2024 Feng Z, Guo W, Kong WY, Chen D, Wang S, Tantillo DJ. Analogies between photochemical reactions and ground-state post-transition-state bifurcations shed light on dynamical origins of selectivity. Nature Chemistry. PMID 38216753 DOI: 10.1038/s41557-023-01410-y  0.412
2023 Wang S, Valdiviez L, Ye H, Fiehn O. Automatic Assignment of Molecular Ion Species to Elemental Formulas in Gas Chromatography/Methane Chemical Ionization Accurate Mass Spectrometry. Metabolites. 13. PMID 37623905 DOI: 10.3390/metabo13080962  0.547
2022 Wang S, Kind T, Bremer PL, Tantillo DJ, Fiehn O. Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics. Journal of Chemical Information and Modeling. 62: 4403-4410. PMID 36107950 DOI: 10.1021/acs.jcim.2c00597  0.57
2022 Bremer PL, Vaniya A, Kind T, Wang S, Fiehn O. How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra. Journal of Chemical Information and Modeling. PMID 36043939 DOI: 10.1021/acs.jcim.2c00936  0.565
2022 Wang S, Kind T, Bremer PL, Tantillo DJ, Fiehn O. Quantum Chemical Prediction of Electron Ionization Mass Spectra of Trimethylsilylated Metabolites. Analytical Chemistry. 94: 1559-1566. PMID 35006668 DOI: 10.1021/acs.analchem.1c02838  0.624
2021 Borges RM, Colby SM, Das S, Edison AS, Fiehn O, Kind T, Lee J, Merrill AT, Merz KM, Metz TO, Nunez JR, Tantillo DJ, Wang LP, Wang S, Renslow RS. Quantum Chemistry Calculations for Metabolomics. Chemical Reviews. PMID 33979149 DOI: 10.1021/acs.chemrev.0c00901  0.543
2020 Wang S, Kind T, Tantillo DJ, Fiehn O. Predicting in silico electron ionization mass spectra using quantum chemistry. Journal of Cheminformatics. 12: 63. PMID 33372633 DOI: 10.1186/s13321-020-00470-3  0.626
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