Water adsorption at two unsolvated peptides with a protonated lysine residue: From self-solvation to solvation

Journal of Physical Chemistry B

Volumn 116, Issue 51, 2012, Pages 14788-14804

  Chutia, Sucismita ^a   Rossi, Mariana ^a   Blum, Volker ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; AMINO ACIDS; AMMONIUM COMPOUNDS; DENSITY FUNCTIONAL THEORY; EQUILIBRIUM CONSTANTS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; PEPTIDES; PROTONATION; VAN DER WAALS FORCES;

AB INITIO MOLECULAR DYNAMICS SIMULATION; ADSORPTION SITE; AMMONIUM GROUPS; C-TERMINUS; CARBOXYL GROUPS; CONFORMATIONAL SEARCH; EXPERIMENTAL STUDIES; HELICAL CONFORMATION; INTRAMOLECULAR HYDROGEN BOND; LYSINE RESIDUES; MICROSOLVATION; PROTONATED; QUALITATIVE CHANGES; THERMODYNAMIC MODEL; VAN DER WAALS; WATER ADSORPTION; WATER MOLECULE;

SOLVATION;

EID: 84871662610     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp3098268     Document Type: Article

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