Rapid and accurate evaluation of the binding energies and the individual N-H⋯O=C, N-H⋯N, C-H⋯O=C, and C-H⋯N interaction energies for hydrogen-bonded peptide-base complexes

Science China Chemistry

Volumn 56, Issue 2, 2013, Pages 238-248

  Huang, Cuiying ^a   Li, Yang ^a   Wang, Changsheng ^a  

^a LIAONING NORMAL UNIVERSITY   (China)

Author keywords

dipole dipole interaction; hydrogen bond; individual hydrogen bonding energy; peptide base complexes; total binding energy

Indexed keywords

AB INITIO CALCULATIONS; ATTRACTIVE INTERACTIONS; DIPOLE DIPOLE INTERACTIONS; INDIVIDUAL HYDROGEN BONDING ENERGY; PEPTIDE-BASE COMPLEXES; REPULSIVE INTERACTION ENERGY; REPULSIVE INTERACTIONS; SUPRAMOLECULAR ASSEMBLIES;

AMINO ACIDS; BINDING ENERGY; DIPOLE MOMENT; ELECTRIC DIPOLE MOMENTS; HYDROGEN BONDS; PEPTIDES; POTENTIAL ENERGY FUNCTIONS;

COMPLEXATION;

EID: 84879784855     PISSN: 16747291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-012-4715-6     Document Type: Article

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