Calculation of weakly polar interaction energies in polypeptides using density functional and local Møller-Plesset perturbation theory

Journal of Computational Chemistry

Volumn 29, Issue 8, 2008, Pages 1344-1352

  Csontos, József ^a   Palermo, Nicholas Y ^a   Murphy, Richard F ^a   Lovas, Sándor ^a  

^a CREIGHTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

Density functional theory; LMP2; Noncovalent interactions; Polypeptides; Proteins; Weakly polar interactions

Indexed keywords

HYDROPHOBIC CORES; INTERACTION ENERGIES; NONCOVALENT INTERACTIONS; WEAKLY POLAR INTERACTIONS;

DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; HYDROPHOBICITY; PERTURBATION TECHNIQUES; POLYPEPTIDES;

PROTEINS;

PEPTIDE;

ARTICLE; CHEMISTRY; COMBINATORIAL CHEMISTRY; PROTEIN CONFORMATION;

COMBINATORIAL CHEMISTRY TECHNIQUES; PEPTIDES; PROTEIN CONFORMATION;

EID: 42649117457     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20898     Document Type: Article

References (87)