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

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SYSNO ASEP	0382878
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Peptide salt bridge stability: From gas phase via microhydration to bulk water simulations
Author(s)	Pluhařová, Eva (UOCHB-X)_RID Maršálek, Ondřej (UOCHB-X)_{RID, ORCID} Schmidt, B. (DE) Jungwirth, Pavel (UOCHB-X)_{RID, ORCID}
Number of authors	4
Source Title	Journal of Chemical Physics. - : AIP Publishing - ISSN 0021-9606 Roč. 137, č. 18 (2012), 185101/1-185101/8
Number of pages	8 s.
Language	eng - English
Country	US - United States
Keywords	salt bridge ; hydration ; molecular dynamics
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	GBP208/12/G016 GA ČR - Czech Science Foundation (CSF)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000311317800037
DOI	10.1063/1.4765052
Annotation	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.
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	2013

Number of the records: 1