Prediction of Enzyme Binding: Human Thrombin Inhibition Study by Quantum Chemical and Artificial Intelligence Methods Based on X-ray Structures

Journal of Chemical Information and Computer Sciences

Volumn 41, Issue 3-6, 2001, Pages 1286-1294

  Mlinsek, G ^a   Novic, M ^a   Hodoscek, M ^a   Solmajer, T ^a,b  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^b Lek dd   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

SERINE PROTEINASE INHIBITOR; THROMBIN;

ALGORITHM; ARTICLE; ARTIFICIAL INTELLIGENCE; ARTIFICIAL NEURAL NETWORK; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG DESIGN; ELECTRICITY; ENZYME ACTIVE SITE; HUMAN; IN VITRO STUDY; METABOLISM; PROTEIN DATABASE; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; DRUG DESIGN; ELECTROSTATICS; HUMANS; MODELS, MOLECULAR; NEURAL NETWORKS (COMPUTER); QUANTUM THEORY; SERINE PROTEINASE INHIBITORS; THROMBIN;

AMINO ACIDS; ARTIFICIAL INTELLIGENCE; CORRELATION METHODS; ENZYME INHIBITION; GENETIC ALGORITHMS; NEURAL NETWORKS; QUANTUM THEORY; VAN DER WAALS FORCES; X RAY ANALYSIS;

ENZYME BINDING;

ENZYME KINETICS;

EID: 0347238366     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci000162e     Document Type: Article

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