Structural studies of human purine nucleoside phosphorylase: Towards a new specific empirical scoring function

Archives of Biochemistry and Biophysics

Volumn 479, Issue 1, 2008, Pages 28-38

  Timmers, Luis Fernando Saraiva Macedo ^a   Caceres, Rafael Andrade ^a   Vivan, Ana Luiza ^a   Gava, Lisandra Marques ^b   Dias, Raquel ^a   Ducati, Rodrigo Gay ^a,c   Basso, Luiz Augusto ^a   Santos, Diogenes Santiago ^a   de Azevedo Jr , Walter Filgueira ^a  

^a PONTIFICAL CATHOLIC UNIVERSITY OF RIO GRANDE DO SUL   (Brazil)

^b UNIVERSITY OF CAMPINAS   (Brazil)

^c FEDERAL UNIVERSITY OF RIO GRANDE DO SUL   (Brazil)

Author keywords

Docking; Empirical scoring functions; Enzymology; Molecular dynamics; Quinazolinone; Virtual screening

Indexed keywords

2 MERCAPTO 4(3H) QUINAZOLINONE; PURINE NUCLEOSIDE PHOSPHORYLASE; QUINAZOLINONE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CONTROLLED STUDY; CRYSTALLOGRAPHY; ENZYME STRUCTURE; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; SYNCHROTRON RADIATION;

APOENZYMES; BINDING SITES; COMPUTER SIMULATION; ENZYME STABILITY; HUMANS; KINETICS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; PURINE-NUCLEOSIDE PHOSPHORYLASE; QUINAZOLINONES; RECOMBINANT PROTEINS; REPRODUCIBILITY OF RESULTS; SPECTROMETRY, FLUORESCENCE; STRUCTURE-ACTIVITY RELATIONSHIP; SYNCHROTRONS; TITRIMETRY; X-RAY DIFFRACTION;

EID: 53649090302     PISSN: 00039861     EISSN: 10960384     Source Type: Journal    
DOI: 10.1016/j.abb.2008.08.015     Document Type: Article

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