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Attractive Interactions between Side Chains of Histidine-Histidine and Histidine-Arginine-Based Cationic Dipeptides in Water
- 1.0345889 - ÚOCHB 2011 RIV US eng J - Journal Article
Heyda, Jan - Mason, P. E. - Jungwirth, Pavel
Attractive Interactions between Side Chains of Histidine-Histidine and Histidine-Arginine-Based Cationic Dipeptides in Water.
Journal of Physical Chemistry B. Roč. 114, č. 26 (2010), s. 8744-8749. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : molecular dynamics * histidine * ion pairing
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.603, year: 2010
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.
Permanent Link: http://hdl.handle.net/11104/0005961
Number of the records: 1