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AceDRG: a stereochemical description generator for ligands.
Acta Crystallogr D Struct Biol. 2017 Feb 1;73(Pt 2):112-122. doi: 10.1107/S2059798317000067. Epub 2017 Feb 1.
Acta Crystallogr D Struct Biol. 2017.
PMID: 28177307
Free PMC article.
Validation and extraction of molecular-geometry information from small-molecule databases.
Long F, Nicholls RA, Emsley P, Graǽulis S, Merkys A, Vaitkus A, Murshudov GN.
Long F, et al.
Acta Crystallogr D Struct Biol. 2017 Feb 1;73(Pt 2):103-111. doi: 10.1107/S2059798317000079. Epub 2017 Feb 1.
Acta Crystallogr D Struct Biol. 2017.
PMID: 28177306
Free PMC article.
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