New insights in atom-atom interactions for future drug design

Current Topics in Medicinal Chemistry

Volumn 12, Issue 17, 2012, Pages 1924-1934

  Popelier, Paul ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

Amino acids; Atomic partial charges; Docking; Electron density; Energy partitioning; Kriging; Machine learning; Multipole moments; Polarisation; Proteins; Quantum chemical topology (QCT); Quantum theory of atoms in molecules

Indexed keywords

LIGAND; PROTEIN;

ALGORITHM; AMINO ACID; ARTICLE; ATOM; COMPUTER MODEL; DRUG DESIGN; ISOTHERMAL TITRATION CALORIMETRY; MOLECULAR DOCKING; MOLECULAR INTERACTION; NUCLEAR ENERGY; SCORING SYSTEM; STATIC ELECTRICITY;

ALGORITHMS; CHEMISTRY, PHARMACEUTICAL; COMPUTATIONAL BIOLOGY; DRUG DESIGN; MODELS, MOLECULAR; QUANTUM THEORY; STATIC ELECTRICITY;

EID: 84872246004     PISSN: 15680266     EISSN: 18734294     Source Type: Journal    
DOI: 10.2174/156802612804547416     Document Type: Article

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