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Attractive Interactions between Side Chains of Histidine-Histidine and Histidine-Arginine-Based Cationic Dipeptides in Water
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SYSNO ASEP 0345889 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Attractive Interactions between Side Chains of Histidine-Histidine and Histidine-Arginine-Based Cationic Dipeptides in Water Author(s) Heyda, Jan (UOCHB-X)
Mason, P. E. (US)
Jungwirth, Pavel (UOCHB-X) RID, ORCIDNumber of authors 3 Source Title Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106
Roč. 114, č. 26 (2010), s. 8744-8749Number of pages 6 s. Language eng - English Country US - United States Keywords molecular dynamics ; histidine ; ion pairing Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) GA203/08/0114 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000279282600019 DOI 10.1021/jp101031v Annotation Molecular dynamics simulations of histidine-based dipeptides in water show that a protonated histidine side chain group has a propensity for forming like-charged contact pairs with another protonated histidine or with arginine. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2011
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