The energetic and structural effects of single amino acid substitutions upon capped α-helical peptides containing 17 amino acid residues. An ONIOM DFT/AM1 study

Journal of the American Chemical Society

Volumn 127, Issue 49, 2005, Pages 17216-17223

  Wieczorek, Robert ^a,b   Dannenberg, J J ^a  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b UNIVERSITY OF WROC AW   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; MUTAGENESIS; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS;

MUTATIONS; PROLINE; SERINE;

POLYPEPTIDES;

ACETIC ACID DERIVATIVE; ALANINE; AMINO ACID; AMMONIUM DERIVATIVE; GLYCINE; LEUCINE; PEPTIDE DERIVATIVE; PHENYLALANINE; PROLINE; SERINE; VALINE;

ALPHA HELIX; AMINO ACID SEQUENCE; AMINO ACID SUBSTITUTION; ARTICLE; BETA SHEET; CALCULATION; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; HYDROGEN BOND; MOLECULAR INTERACTION; POLYMERIZATION; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN MODIFICATION; PROTEIN SECONDARY STRUCTURE; PROTEIN STABILITY; PROTEIN TERTIARY STRUCTURE; SOLVATION; STRUCTURE ANALYSIS;

EID: 29044437582     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja052689j     Document Type: Article

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