Development of chemical compound libraries for in silico drug screening

Current Computer-Aided Drug Design

Volumn 6, Issue 2, 2010, Pages 90-102

  Fukunishi, Yoshifumi ^a,b   Lintuluoto, Masami ^c  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b BioGrid Center Kansai   (Japan)

^c KYOTO PREFECTURAL UNIVERSITY   (Japan)

Author keywords

3D structure generation; Affinity fingerprint; Compound database; Compound library; Conformer generation; In silico screening; Metal complex; Virtual screening

Indexed keywords

DATABASE SYSTEMS; DIGITAL LIBRARIES; INDIUM COMPOUNDS; METALS;

3D STRUCTURE; 3D STRUCTURE GENERATION; AFFINITY FINGERPRINT; COMPOUND DATABASE; COMPOUND LIBRARIES; CONFORMER GENERATION; DRUG-SCREENING; IN-SILICO SCREENING; STRUCTURE GENERATION; VIRTUAL SCREENING;

METAL COMPLEXES;

ANTINEOPLASTIC AGENT; AURANOFIN; BETA LACTAMASE INHIBITOR; CARBOPLATIN; CISPLATIN; GLYCOGEN SYNTHASE KINASE 3 INHIBITOR; METAL COMPLEX; METALLOPROTEINASE; PHOSPHOTRANSFERASE INHIBITOR; PROTEIN TYROSINE KINASE INHIBITOR; RIBONUCLEASE INHIBITOR; MOLECULAR LIBRARY;

ARTICLE; COMPUTER MODEL; DATA BASE; DRUG SCREENING; PROTON TRANSPORT; THREE DIMENSIONAL IMAGING; COMPUTER SIMULATION; FACTUAL DATABASE; MOLECULAR LIBRARY; PRECLINICAL STUDY; PROCEDURES;

COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; SMALL MOLECULE LIBRARIES;

EID: 77953660619     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340910791202450     Document Type: Article

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