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Attractive Interactions between Side Chains of Histidine-Histidine and Histidine-Arginine-Based Cationic Dipeptides in Water

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, ORCID}
Number of authors	3
Source Title	Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106 Roč. 114, č. 26 (2010), s. 8744-8749
Number 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 ; Viktorie Chládková, Tel.: 232 002 434
Year of Publishing	2011

Number of the records: 1