Structural aspects of the solvation shell of lysine and acetylated lysine: A Car-Parrinello and classical molecular dynamics investigation

Journal of Chemical Physics

Volumn 131, Issue 22, 2009, Pages

  Carnevale, V ^a   Raugei, S ^b  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTIONS; CAR-PARRINELLO MOLECULAR DYNAMICS SIMULATIONS; CHARGED GROUPS; CHARGED MOIETIES; CHEMICAL GROUP; CLASSICAL MOLECULAR DYNAMICS; COMPARATIVE ANALYSIS; COMPUTATIONAL SCHEMES; ELECTRONIC DENSITY; POST-TRANSLATIONAL MODIFICATIONS; PROTEIN-DNA COMPLEXES; SIGNALING PATHWAYS; SOLVATION PROPERTIES; SOLVATION SHELL; STRUCTURAL ASPECTS; WATER MOLECULE;

CHARGE TRANSFER; FLUORINE CONTAINING POLYMERS; ION EXCHANGE; MOLECULAR DYNAMICS; NUCLEIC ACIDS; PROTEINS; SOLVATION; STRUCTURAL ANALYSIS; WATER ANALYSIS;

AMINO ACIDS;

LYSINE; WATER;

ACETYLATION; ARTICLE; CHEMISTRY; CONFORMATION; MOLECULAR DYNAMICS; SOLUTION AND SOLUBILITY;

ACETYLATION; LYSINE; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; SOLUTIONS; WATER;

EID: 72449135717     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3268703     Document Type: Article

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