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Comprehensive Peptide Ion Structure Studies Using Ion Mobility Techniques: Part 3. Relating Solution-phase to Gas-phase Structures

Molecular dynamics (MD) simulations have been utilized to study peptide ion conformer establishment during the electrospray process. An explicit water model is used for nanodroplets containing a model peptide and hydronium ions. Simulations are conducted at 300 K for two different peptide ion charge...

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Dades bibliogràfiques
Publicat a:J Am Soc Mass Spectrom
Autors principals: Kondalaji, Samaneh Ghassabi, Khakinejad, Mahdiar, Valentine, Stephen J.
Format: Artigo
Idioma:Inglês
Publicat: 2018
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6525623/
https://ncbi.nlm.nih.gov/pubmed/29858839
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s13361-018-1996-9
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