Validation of the SPROUT de novo design program

Journal of Molecular Structure: THEOCHEM

Volumn 666-667, Issue , 2003, Pages 651-657

  Law, Jacqueline M S ^a,b   Fung, David Y K ^c   Zsoldos, Zsolt ^c   Simon, Aniko ^c   Szabo, Zsolt ^c   Csizmadia, Imre G ^a,b,d   Johnson, A Peter ^e  

^a UNIVERSITY OF TORONTO   (Canada)

^b Global Inst Compl Molec Mat Sci   (Canada)

^c Simulated Biomolecular Systems Inc   (Canada)

^d UNIVERSITY OF SZEGED   (Hungary)

^e UNIVERSITY OF LEEDS   (United Kingdom)

Author keywords

De novo design; Drug design; Fragment based exhaustive search; Structure based; Validation

Indexed keywords

CALMODULIN BINDING PROTEIN; DIAMINE DERIVATIVE; DIHYDROFOLATE REDUCTASE; GUANOSINE DIPHOSPHATE; LIGAND; METHOTREXATE; N (3,3 DIPHENYLPROPYL) N' [1 (3,4 BISBUTOXYPHENYL)ETHYL]PROPYLENDIAMINE; PARACETAMOL; PROTEIN P21; RAS PROTEIN; RECEPTOR; RECEPTOR PROTEIN; THROMBIN RECEPTOR; UNCLASSIFIED DRUG;

CONFERENCE PAPER; CONFORMATION; DRUG CONFORMATION; DRUG DESIGN; DRUG RECEPTOR BINDING; MOLECULAR DYNAMICS; PROTEIN DATA BANK; PROTEIN PROTEIN INTERACTION; STRUCTURAL HOMOLOGY; STRUCTURE ANALYSIS; THREE DIMENSIONAL IMAGING; VALIDATION PROCESS;

EID: 1642559332     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.08.104     Document Type: Conference Paper

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