Number of the records: 1
Like-Charge Guanidinium Pairing from Molecular Dynamics and Ab Initio Calculations
- 1.0365686 - ÚOCHB 2012 RIV US eng J - Journal Article
Vazdar, Mario - Vymětal, Jiří - Heyda, Jan - Vondrášek, Jiří - Jungwirth, Pavel
Like-Charge Guanidinium Pairing from Molecular Dynamics and Ab Initio Calculations.
Journal of Physical Chemistry A. Roč. 115, č. 41 (2011), s. 11193-11201. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114; GA MŠMT(CZ) LH11020
Institutional research plan: CEZ:AV0Z40550506
Keywords : guanidinium * arginine * molecular dynamics * ab initio calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Pairing of guanidinium moieties in water is explored by molecular dynamics simulations of short arginine-rich peptides and ab initio calculations of a pair of guanidinium ions in water clusters.
Permanent Link: http://hdl.handle.net/11104/0006606
Number of the records: 1