A comparative study of various computational approaches in calculating the Structure of pyridoxal 5′-phosphate (PLP)-dependent β-lyase protein. the importance of protein environment

Journal of Computational Chemistry

Volumn 26, Issue 5, 2005, Pages 443-446

  Prabhakar, Rajeev ^a   Morokuma, Keiji ^a   Musaev, Djamaladdin G ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

Active site modeling; Enzyme modeling; ONIOM approach; Protein active site interaction; Pyridoxal 5 phosphate (PLP)dependent protein

Indexed keywords

ACTIVE-SITE MODELING; ENZYME MODELING; ONIOM APPROACH; PROTEIN/ACTIVE-SITE INTERACTION; PYRIDOXAL 5'-PHOSPHATE (PLP)-DEPENDENT PROTEIN; X-RAY STRUCTURES;

AMINO ACIDS; COMPUTATIONAL METHODS; MOLECULAR DYNAMICS; MONOMERS; OPTIMIZATION; PHOSPHATES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

PROTEINS;

ESCHERICHIA COLI PROTEIN; LYASE; PROTEIN; PYRIDOXAL 5 PHOSPHATE; SELENOCYSTEINE LYASE;

ARTICLE; BINDING SITE; CHEMISTRY; COMPARATIVE STUDY; ENZYMOLOGY; ESCHERICHIA COLI; METABOLISM; PROTEIN CONFORMATION; THEORETICAL MODEL; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; ESCHERICHIA COLI; ESCHERICHIA COLI PROTEINS; LYASES; MODELS, THEORETICAL; PROTEIN CONFORMATION; PROTEINS; PYRIDOXAL PHOSPHATE;

EID: 16244389626     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20179     Document Type: Article

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