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Does Thermal Breathing Affect Collision Cross Sections of Gas-Phase Peptide Ions? An Ab Initio Molecular Dynamics Study
Ab initio molecular dynamics (AIMD) with density functional theory (DFT) was applied to explore conformational motions and collision cross sections (Ω) of folded (2) and extended (7) conformers of doubly charged peptide ions, (Ala–Ala–Leu–Arg + 2H)(2+), in the gas phase at 300 and 473 K. The experim...
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| Publicado no: | J Phys Chem Lett |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5032842/ https://ncbi.nlm.nih.gov/pubmed/27389035 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.6b01187 |
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