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Structure-Based Molecular Networking for the Target Discovery of Oxahomoaporphine and 8-Oxohomoaporphine Alkaloids from Duguetia surinamensis.
Paz WHP, de Oliveira RN, Heerdt G, Angolini CFF, S de Medeiros L, Silva VR, Santos LS, Soares MBP, Bezerra DP, Morgon NH, Almeida JRGS, da Silva FMA, Costa EV, Koolen HHF. Paz WHP, et al. Among authors: heerdt g. J Nat Prod. 2019 Aug 23;82(8):2220-2228. doi: 10.1021/acs.jnatprod.9b00287. Epub 2019 Aug 12. J Nat Prod. 2019. PMID: 31403289
High performance collision cross section calculation-HPCCS.
Zanotto L, Heerdt G, Souza PCT, Araujo G, Skaf MS. Zanotto L, et al. Among authors: heerdt g. J Comput Chem. 2018 Aug 5;39(21):1675-1681. doi: 10.1002/jcc.25199. Epub 2018 Mar 2. J Comput Chem. 2018. PMID: 29498071
Collision Cross Section Calculations Using HPCCS.
Heerdt G, Zanotto L, Souza PCT, Araujo G, Skaf MS. Heerdt G, et al. Methods Mol Biol. 2020;2084:297-310. doi: 10.1007/978-1-0716-0030-6_19. Methods Mol Biol. 2020. PMID: 31729669
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