A quantum chemical method for rapid optimization of protein structures

Journal of Computational Chemistry

Volumn 26, Issue 2, 2005, Pages 160-168

  Wada, Mitsuhito ^a   Sakurai, Minoru ^b  

^a Celestar Lexico Sciences Inc   (Japan)

^b TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

Geometry optimization; Linear scaling MO; MOZYME; Protein structure

Indexed keywords

ALGORITHMS; AMINO ACIDS; ELECTRON TRANSITIONS; OPTIMIZATION; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION ANALYSIS;

MOLECULAR SYSTEMS; PROTEIN STRUCTURE; QUANTUM CHEMISTRY;

PROTEINS;

PROTEIN;

ALGORITHM; AMINO ACID SEQUENCE; ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; METHODOLOGY; PROTEIN CONFORMATION; THERMODYNAMICS;

ALGORITHMS; AMINO ACID SEQUENCE; COMPUTATIONAL BIOLOGY; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEINS; THERMODYNAMICS;

EID: 12344294827     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20154     Document Type: Article

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