Surface descriptors for protein-ligand affinity prediction

Journal of Medicinal Chemistry

Volumn 46, Issue 1, 2003, Pages 25-33

  Zamora, Ismael ^a,d   Oprea, Tudor ^a   Cruciani, Gabriele ^b   Pastor, Manuel ^c   Ungell, Anna Lena ^a  

^a ASTRAZENECA R AND D   (Sweden)

^b UNIVERSITY OF PERUGIA   (Italy)

^c INST MUNIC D INVESTIGACIO MEDICA   (Spain)

^d Lead Molecular Design   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ENZYME INHIBITOR; GLYCOGEN PHOSPHORYLASE;

ARTICLE; BINDING AFFINITY; BLOOD BRAIN BARRIER; CALCULATION; DRUG PENETRATION; DRUG PROTEIN BINDING; DRUG RECEPTOR BINDING; GASTROINTESTINAL TRACT; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR MODEL; PREDICTION; PROTEIN DATABASE; PUBLICATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEREOCHEMISTRY;

LIGANDS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; PHARMACOKINETICS; PROTEIN BINDING; PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0037413569     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm011051p     Document Type: Article

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