Linear scaling approaches to quantum macromolecular similarity: Evaluating the similarity function

Journal of Computational Chemistry

Volumn 23, Issue 14, 2002, Pages 1305-1313

  Constans, Pere ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

Electron density superposition; Linear scaling; Molecular similarity; Protein alignment

Indexed keywords

ALGORITHMS; CARRIER CONCENTRATION; ELECTRON ENERGY LEVELS; MACROMOLECULES; MATHEMATICAL MODELS; MOLECULAR ORIENTATION;

ATOMIC SHELL DENSITIES; LINEAR SCALING; QUANTUM MACROMOLECULAR SIMILARITY;

QUANTUM THEORY;

HEMOGLOBIN; MYOGLOBIN;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; ELECTRICITY; MACROMOLECULE; MATHEMATICAL COMPUTING; PROTEIN CONFORMATION; THERMODYNAMICS;

ELECTROSTATICS; HEMOGLOBINS; MACROMOLECULAR SUBSTANCES; MATHEMATICAL COMPUTING; MODELS, CHEMICAL; MYOGLOBIN; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 0037110470     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10140     Document Type: Article

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