Aqueous solvation of polyalanine α-helices with specific water molecules and with the CPCM and SM5.2 aqueous continuum models using density functional theory

Journal of Physical Chemistry B

Volumn 116, Issue 4, 2012, Pages 1437-1445

  Marianski, Mateusz ^a   Dannenberg, J J ^a  

^a CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; DIPOLE MOMENT; HYDROGEN; SOLVATION;

AQUEOUS SOLVATION; BULK SOLVENTS; COMPLEX BEHAVIOR; CONTINUUM MODEL; DENSITY FUNCTIONAL THEORY CALCULATIONS; DISCRETE WATER MOLECULES; POLYALANINE; SMALL CLUSTERS; VECTOR SUM; WATER MOLECULE;

MOLECULES;

EID: 84856529211     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp209177u     Document Type: Article

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