Dynamic ligand design and combinatorial optimization: Designing inhibitors to endothiapepsin

Proteins: Structure, Function and Genetics

Volumn 40, Issue 2, 2000, Pages 258-289

  Stultz, Collin M ^a,b   Karplus, Martin ^a,c  

^a HARVARD UNIVERSITY   (United States)

^b BRIGHAM AND WOMEN S HOSPITAL   (United States)

^c UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

Binding affinity; Endothiapepsin; Functional optimization; Ligand design

Indexed keywords

ENDOTHIAPEPSIN; ENZYME INHIBITOR;

ALGORITHM; ARTICLE; BINDING AFFINITY; BINDING SITE; ENZYME INHIBITION; HYDROPHOBICITY; PRIORITY JOURNAL; PROTEIN BINDING; THERMODYNAMICS;

ALGORITHMS; ASPARTIC ENDOPEPTIDASES; COMBINATORIAL CHEMISTRY TECHNIQUES; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; MODELS, STATISTICAL; MONTE CARLO METHOD; PROTEIN BINDING; PROTEIN CONFORMATION; TEMPERATURE; THERMODYNAMICS;

EID: 0034257202     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(20000801)40:2<258::AID-PROT80>3.0.CO;2-I     Document Type: Article

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