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Shunyang Wang
Shunyang Wang
Verified email at ucdavis.edu - Homepage
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Cited by
Year
Quantum chemistry calculations for metabolomics: Focus review
RM Borges, SM Colby, S Das, AS Edison, O Fiehn, T Kind, J Lee, ...
Chemical reviews 121 (10), 5633-5670, 2021
542021
Predicting in silico electron ionization mass spectra using quantum chemistry
S Wang, T Kind, DJ Tantillo, O Fiehn
Journal of cheminformatics 12 (1), 63, 2020
322020
Computational exploration of reactive fragment for mechanism-based inhibition of xanthine oxidase
Y Du, Z Liu, F Qiao, S Wang, K Chen, X Zhang
Journal of Organometallic Chemistry 864, 58-67, 2018
92018
Quantum chemical prediction of electron ionization mass spectra of trimethylsilylated metabolites
S Wang, T Kind, PL Bremer, DJ Tantillo, O Fiehn
Analytical Chemistry 94 (3), 1559-1566, 2022
82022
Beyond the ground state: Predicting electron ionization mass spectra using excited-state molecular dynamics
S Wang, T Kind, PL Bremer, DJ Tantillo, O Fiehn
Journal of Chemical Information and Modeling 62 (18), 4403-4410, 2022
62022
How well can we predict mass spectra from structures? Benchmarking competitive fragmentation modeling for metabolite identification on untrained tandem mass spectra
PL Bremer, A Vaniya, T Kind, S Wang, O Fiehn
Journal of Chemical Information and Modeling 62 (17), 4049-4056, 2022
52022
Analogies between photochemical reactions and ground-state post-transition-state bifurcations shed light on dynamical origins of selectivity
Z Feng, W Guo, WY Kong, D Chen, S Wang, DJ Tantillo
Nature Chemistry, 1-9, 2024
32024
Automatic Assignment of Molecular Ion Species to Elemental Formulas in Gas Chromatography/Methane Chemical Ionization Accurate Mass Spectrometry
S Wang, L Valdiviez, H Ye, O Fiehn
Metabolites 13 (8), 962, 2023
12023
Development and application of GlycanDIA workflow for glycomic analysis
Y Xie, X Liu, C Zhao, S Chen, S Wang, Z Lin, FM Robison, BM George, ...
bioRxiv, 2024
2024
Theoretical and experimental explorations on compound identification in metabolomics
S Wang
University of California, Davis, 2022
2022
ターゲットおよびノンターゲットデータ解析ワークフローにおける包括的な精密質量メタボロミクスライブラリとその評価
L Valdiviez, S Wang, W Sandhu, H Ye, O Fiehn, S Nieto
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Articles 1–11