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Peptide salt bridge stability: From gas phase via microhydration to bulk water simulations

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    0382878 - ÚOCHB 2013 RIV US eng J - Journal Article
    Pluhařová, Eva - Maršálek, Ondřej - Schmidt, B. - Jungwirth, Pavel
    Peptide salt bridge stability: From gas phase via microhydration to bulk water simulations.
    Journal of Chemical Physics. Roč. 137, č. 18 (2012), 185101/1-185101/8. ISSN 0021-9606. E-ISSN 1089-7690
    R&D Projects: GA ČR GBP208/12/G016
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : salt bridge * hydration * molecular dynamics
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 3.164, year: 2012

    The salt bridge formation and stability in the terminated lysine-glutamate dipeptide was investigated in water clusters of increasing size up to the limit of bulk water.
    Permanent Link: http://hdl.handle.net/11104/0007474

     
     
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