Subpocket analysis method for fragment-based drug discovery

Journal of Chemical Information and Modeling

Volumn 53, Issue 1, 2013, Pages 131-141

  Kalliokoski, Tuomo ^a   Olsson, Tjelvar S G ^b   Vulpetti, Anna ^a  

^a NOVARTIS PHARMA AG   (Switzerland)

^b CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES;

ALIGNMENT ALGORITHMS; ANALYSIS METHOD; COMPOUND SELECTIVITY; DRUG DISCOVERY; LARGE DATABASE; PROTEIN FAMILY; SEQUENCE SIMILARITY; SIMILARITY SEARCHING;

QUERY PROCESSING;

HEAT SHOCK PROTEIN 90; HISTONE LYSINE METHYLTRANSFERASE; HISTONE METHYLTRANSFERASE; PHOSPHONIC ACID DERIVATIVE;

ANIMAL; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; DATA MINING; DRUG DATABASE; DRUG DESIGN; DRUG DEVELOPMENT; HUMAN; METABOLISM; METHODOLOGY; PROTEIN CONFORMATION; PROTEIN DATABASE; REPRODUCIBILITY;

ANIMALS; BINDING SITES; DATA MINING; DATABASES, PHARMACEUTICAL; DATABASES, PROTEIN; DRUG DESIGN; DRUG DISCOVERY; HISTONE-LYSINE N-METHYLTRANSFERASE; HSP90 HEAT-SHOCK PROTEINS; HUMANS; MODELS, MOLECULAR; ORGANOPHOSPHONATES; PROTEIN CONFORMATION; REPRODUCIBILITY OF RESULTS; SOFTWARE;

MLCS; MLOWN;

EID: 84873040004     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300523r     Document Type: Article

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