AceDRG: A stereochemical description generator for ligands

Acta Crystallographica Section D: Structural Biology

Volumn 73, Issue 2, 2017, Pages 112-122

  Long, Fei ^a   Nicholls, Robert A ^a   Emsley, Paul ^a   Gražulis, Saulius ^b   Merkys, Andrius ^b   Vaitkus, Antanas ^b   Murshudov, Garib N ^a  

^a MRC LABORATORY OF MOLECULAR BIOLOGY   (United Kingdom)

^b VILNIUS UNIVERSITY   (Lithuania)

Author keywords

AceDRG; Crystallography Open Database; ligand chemistry; RDKit; refinement

Indexed keywords

BACTERIAL PROTEIN; ETHR PROTEIN, MYCOBACTERIUM TUBERCULOSIS; LIGAND; MOLECULAR LIBRARY; MUTASE; REPRESSOR PROTEIN; UDP-GALACTOPYRANOSE MUTASE;

BINDING SITE; CHEMISTRY; CONFORMATION; DEINOCOCCUS; FACTUAL DATABASE; METABOLISM; MOLECULAR LIBRARY; MOLECULAR MODEL; MYCOBACTERIUM TUBERCULOSIS; SOFTWARE; STEREOISOMERISM; X RAY CRYSTALLOGRAPHY;

BACTERIAL PROTEINS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DATABASES, FACTUAL; DEINOCOCCUS; INTRAMOLECULAR TRANSFERASES; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MYCOBACTERIUM TUBERCULOSIS; REPRESSOR PROTEINS; SMALL MOLECULE LIBRARIES; SOFTWARE; STEREOISOMERISM;

EID: 85011965358     PISSN: None     EISSN: 20597983     Source Type: Journal    
DOI: 10.1107/S2059798317000067     Document Type: Article

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