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Ion Specificity at the Peptide Bond: Molecular Dynamics Simulations of N-Methylacetamide in Aqueous Salt Solutions
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SYSNO ASEP 0342483 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Ion Specificity at the Peptide Bond: Molecular Dynamics Simulations of N-Methylacetamide in Aqueous Salt Solutions Author(s) Heyda, Jan (UOCHB-X)
Vincent, J. C. (US)
Tobias, D. J. (US)
Dzubiella, J. (DE)
Jungwirth, Pavel (UOCHB-X) RID, ORCIDNumber of authors 5 Source Title Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106
Roč. 114, č. 2 (2010), s. 1213-1220Number of pages 8 s. Language eng - English Country US - United States Keywords molecular dynamics ; ion specificity ; peptide bond Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/08/0114 GA ČR - Czech Science Foundation (CSF) LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000273405000063 DOI 10.1021/jp910953w Annotation Affinities of alkali cations and halide anions for the peptide group were quantified using molecular dynamics simulations. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2011
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