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1 Ergebnisse
1
Molecular Dynamics Simulations of Native Protein Charging v..:
Michael S. Cordes
;
Elyssia S. Gallagher
doi:10.1021/acs.analchem.3c05089.s001. , 2024
Link:
https://doi.org/10.1021/acs.analchem.3c05089.s001
RT Journal T1
Molecular Dynamics Simulations of Native Protein Charging via Proton Transfer during Electrospray Ionization with Grotthuss Diffuse H 3 O +
UL https://suche.suub.uni-bremen.de/peid=base-ftgriffithunifig:oai:figshare.com:article_25328923&Exemplar=1&LAN=DE A1 Michael S. Cordes A1 Elyssia S. Gallagher YR 2024 K1 Biophysics K1 Biochemistry K1 Infectious Diseases K1 Plant Biology K1 Computational Biology K1 Biological Sciences not elsewhere classified K1 Chemical Sciences not elsewhere classified K1 Physical Sciences not elsewhere classified K1 sup >+</ sup K1 localized hydrated regions K1 dynamically altering amino K1 observable charge states K1 characterizing electrosprayed droplets K1 acidic droplets enables K1 utilized metal ions K1 prior md studies K1 previous md studies K1 charge residue model K1 model electrospray charging K1 grotthuss diffuse h K1 gaseous ion formation K1 even though proteins K1 acid protonation states K1 3 </ sub K1 molecular dynamics simulations K1 modified md protocol K1 native protein ionization K1 molecular dynamics K1 electrospray ionization K1 droplets desolvate K1 charge carriers K1 protein ionization K1 protonated ions K1 native proteins K1 model proteins K1 comprehensive model K1 molecular perspective K1 protein surface K1 protein folding K1 state distributions K1 solution conformation K1 results suggest K1 provide insights K1 proton transfer K1 primarily detected K1 mass spectra K1 individual residues K1 highly specific K1 gas phase K1 discrete h JF doi:10.1021/acs.analchem.3c05089.s001 LK http://dx.doi.org/https://doi.org/10.1021/acs.analchem.3c05089.s001 DO https://doi.org/10.1021/acs.analchem.3c05089.s001 SF ELIB - SuUB Bremen
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