In silico fragment screening by replica generation (FSRG) method for fragment-based drug design

Journal of Chemical Information and Modeling

Volumn 49, Issue 4, 2009, Pages 925-933

  Fukunishi, Yoshifumi ^a,b   Mashimo, Tadaaki ^c,d   Orita, Masaya ^d,e,f   Ohno, Kazuki ^d,e,f   Nakamura, Haruki ^a,g  

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

^b Pharmaceutical Innovation Value Chain   (Japan)

^c Information and Mathematics Science Laboratory Inc   (Japan)

^d Koto ku   (Japan)

^e Drug Discovery Research   (Japan)

^f ASTELLAS PHARMA INC   (Japan)

^g OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; PROTEINS;

ACTIVE COMPOUNDS; DIFFERENT SIZES; DOCKING SIMULATIONS; HYDROGEN BONDING INTERACTIONS; IN-SILICO SCREENING; PROTEIN SURFACE; STRUCTURE-BASED; TARGET PROTEINS;

CHEMICAL MODIFICATION;

ENZYME INHIBITOR; PEPTIDE LIBRARY; PROTEIN;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMBINATORIAL CHEMISTRY; COMPUTER SIMULATION; DRUG DESIGN; DRUG EFFECT; DRUG SCREENING; HYDROGEN BOND; METHODOLOGY; MOLECULAR WEIGHT; PROTEIN CONFORMATION; SYNTHESIS;

ALGORITHMS; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER SIMULATION; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR WEIGHT; PEPTIDE LIBRARY; PROTEIN CONFORMATION; PROTEINS;

EID: 66149107911     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800435x     Document Type: Article

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