In silico identification and crystal structure validation of caspase-3 inhibitors without a P1 aspartic acid moiety

Acta Crystallographica Section F: Structural Biology and Crystallization Communications

Volumn 67, Issue 8, 2011, Pages 842-850

  Ganesan, Rajkumar ^a,b   Jelakovic, Stjepan ^a   Mittl, Peer R E ^a   Caflisch, Amedeo ^a   Grütter, Markus G ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b MEDIMMUNE   (United States)

Author keywords

caspases; docking; in silico screening; structure activity relationship

Indexed keywords

ASPARTIC ACID; CASP3 PROTEIN, HUMAN; CASPASE 3; ENZYME INHIBITOR;

ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; HUMAN; PROTEIN TERTIARY STRUCTURE; X RAY CRYSTALLOGRAPHY;

ASPARTIC ACID; CASPASE 3; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; HUMANS; MODELS, MOLECULAR; PROTEIN STRUCTURE, TERTIARY;

EID: 80051543450     PISSN: None     EISSN: 17443091     Source Type: Journal    
DOI: 10.1107/S1744309111018604     Document Type: Article

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