A modified electronegativity equalization method for fast and accurate calculation of atomic charges in large biological molecules

Physical Chemistry Chemical Physics

Volumn 11, Issue 29, 2009, Pages 6082-6089

  Ouyang, Yongzhong ^a   Ye, Fei ^a   Liang, Yizeng ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

GLYCINE; PEPTIDE;

ALGORITHM; AMINO ACID SEQUENCE; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; STATIC ELECTRICITY;

ALGORITHMS; AMINO ACID SEQUENCE; COMPUTER SIMULATION; GLYCINE; MODELS, MOLECULAR; PEPTIDES; QUANTUM THEORY; STATIC ELECTRICITY;

EID: 70349252253     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b821696g     Document Type: Article

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