Density functional theory study of the conformational space of an infinitely long polypeptide chain

Journal of Chemical Physics

Volumn 131, Issue 8, 2009, Pages

  Ireta, Joel ^a,b   Scheffler, Matthias ^a  

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

^b DEPARTAMENTO DE QUÍMICA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONAL SPACE; COOPERATIVE EFFECTS; CYLINDRICAL COORDINATES; HYDROGEN BONDINGS; POLYALANINE; POLYPEPTIDE CHAIN; POLYPROLINE II; PROTEIN RESIDUES; PROTEIN STRUCTURES;

HYDROGEN; HYDROGEN BONDS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

PEPTIDE; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; PROTEIN CONFORMATION; QUANTUM THEORY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; PEPTIDES; PROTEIN CONFORMATION; PROTEINS; QUANTUM THEORY; THERMODYNAMICS;

EID: 69549091507     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3207815     Document Type: Article

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