Effect of conformational degrees of freedom on the charge transfer in model tripeptide

Journal of Molecular Graphics and Modelling

Volumn 27, Issue 7, 2009, Pages 784-791

  Santhanamoorthi, N ^a   Kolandaivel, P ^a   Senthilkumar, K ^a  

^a BHARATHIAR UNIVERSITY   (India)

Author keywords

Charge transfer integral; Oligoglycine; Polypeptides; Potential energy surface; Site energy

Indexed keywords

AMINO ACID RESIDUES; CARBON ATOMS; CHARGE TRANSFER INTEGRAL; CONFORMATIONAL DEGREES OF FREEDOMS; DIHEDRAL ANGLES; ELECTRON TRANSFERS; ELECTRONIC STRUCTURE CALCULATIONS; GAS-PHASE; INTRA-MOLECULAR CHARGE TRANSFERS; OLIGOGLYCINE; ORBITAL METHODS; SITE-ENERGY; SPATIAL OVERLAPS; TRI-PEPTIDES; TRIPEPTIDE;

AMINATION; AMINES; AMINO ACIDS; CHARGE TRANSFER; CHEMICAL BONDS; ELECTRONIC STRUCTURE; ION EXCHANGE; MOLECULAR ORBITALS; ORGANIC ACIDS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; SULFUR COMPOUNDS; WAVE FUNCTIONS;

MASS TRANSFER;

AMINO ACID; CARBON; GLYCINE DERIVATIVE; TRIPEPTIDE;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; ELECTRON TRANSPORT; ENERGY TRANSFER; GAS; GEOMETRY; MOLECULAR MODEL; PHASE TRANSITION; PRIORITY JOURNAL; PROTEIN CONFORMATION; RESIDUE ANALYSIS; STRUCTURE ANALYSIS;

ELECTRONS; GASES; GLYCINE; MODELS, MOLECULAR; OLIGOPEPTIDES; PROTEIN CONFORMATION; SURFACE PROPERTIES;

EID: 61449097458     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2008.11.010     Document Type: Article

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