A modular numbering system of selected oligopeptides for molecular computations: Using pre-computed amino acid building blocks

Journal of Molecular Structure: THEOCHEM

Volumn 666-667, Issue , 2003, Pages 169-218

  Sahai, Michelle A ^a,b   Lovas, Sándor ^c   Chass, Gregory A ^a,b,c,d   Penke, Botond ^e   Csizmadia, Imre G ^a,b,e  

^a Global Inst Compl Molec Mat Sci   (Canada)

^b UNIVERSITY OF TORONTO   (Canada)

^c CREIGHTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

^d Inst Sci d'Ingenierie S   (France)

^e UNIVERSITY OF SZEGED   (Hungary)

Author keywords

Ab initio; Atomic numbering; Internal coordinates; Oligopeptide; Peptide computations; Peptide folding; Protein folding

Indexed keywords

AMINO ACID; N ACETYLALANYLALANINE N METHYLAMIDE; N ACETYLALANYLALANYLALANINE N METHYLAMIDE; N ACETYLALANYLGLYCINE N METHYLAMIDE; N ACETYLALANYLGLYCYLALANINE N METHYLAMIDE; N ACETYLALANYLVALINE N METHYLAMIDE; N ACETYLGLYCYLALANYLGLYCINE N METHYLAMIDE; N ACETYLGLYCYLGLYCYLGLYCINE N METHYLAMIDE; N ACETYLGLYCYLPROLYLHYDROXYPROLINE N METHYLAMIDE; N ACETYLHYDROXYPROLYLGLYCYLPROLINE N METHYLAMIDE; N ACETYLPROLYLHYDROXYPROLYLGLYCINE N METHYLAMIDE; N ACETYLPROLYLPHENYLALANINE N METHYLAMIDE; N ACETYLPROLYLTRYPTOPHAN N METHYLAMIDE; N ACETYLPROLYLTYROSINE N METHYLAMIDE; N ACETYLVALYLALANINE N METHYLAMIDE; N ACETYLVALYLGLYCINE N METHYLAMIDE; N ACETYLVALYLVALINE N METHYLAMIDE; OLIGOPEPTIDE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ATOM; AUTOMATION; CONFERENCE PAPER; DATA BASE; GEOMETRY; MOLECULAR MODEL; PROTEIN ANALYSIS; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN STRUCTURE; REACTION OPTIMIZATION;

EID: 1642533621     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.08.028     Document Type: Conference Paper

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