Fragmentation-tree density representation for crystallographic modelling of bound ligands

Journal of Molecular Biology

Volumn 419, Issue 3-4, 2012, Pages 211-222

  Langer, Gerrit G ^a   Evrard, Guillaume X ^a,b   Carolan, Ciaran G ^a   Lamzin, Victor S ^a  

^a EUROPEAN MOLECULAR BIOLOGY LABORATORY   (Germany)

^b BRUKER AXS GMBH   (Germany)

Author keywords

drug design; electron density map; hybrid approach; shape; small molecule binders

Indexed keywords

LIGAND;

ALGORITHM; ARTICLE; BINDING SITE; COMPUTER PROGRAM; CRYSTALLOGRAPHY; DENSITY; FRAGMENTATION TREE DENSITY; MODEL; PRIORITY JOURNAL;

EID: 84860752223     PISSN: 00222836     EISSN: 10898638     Source Type: Journal    
DOI: 10.1016/j.jmb.2012.03.012     Document Type: Article

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