Assessment of solvation effects on calculated binding affinity differences: Trypsin inhibition by flavonoids as a model system for congeneric series

Journal of Medicinal Chemistry

Volumn 40, Issue 25, 1997, Pages 4136-4145

  Checa, Ana ^a   Ortiz, Angel R ^a,b   De Pascual Teresa, Beatriz ^a,c   Gago, Federico ^a  

^a UNIVERSITY OF ALCALÁ   (Spain)

^b SCRIPPS RESEARCH INSTITUTE   (United States)

^c UNIVERSIDAD SAN PABLO CEU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

FLAVONOID; TRYPSIN;

ARTICLE; BINDING AFFINITY; BINDING SITE; CRYSTAL STRUCTURE; ENTHALPY; ENTROPY; MOLECULAR MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOLVATION;

ANIMALS; CATTLE; ELECTROSTATICS; FLAVONOIDS; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; TRYPSIN INHIBITORS;

EID: 0031469618     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm970245v     Document Type: Article

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