Improved ligand geometries in crystallographic refinement using AFITT in PHENIX

Acta Crystallographica Section D: Structural Biology

Volumn 72, Issue 9, 2016, Pages 1062-1072

  Janowski, Pawel A ^a   Moriarty, Nigel W ^b   Kelley, Brian P ^c   Case, David A ^a   York, Darrin M ^a   Adams, Paul D ^b,d   Warren, Gregory L ^e  

^a RUTGERS UNIVERSITY   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

^d University of California at Berkeley   (United States)

^e OpenEye Scientific Software Inc   (United States)

Author keywords

AFITT; geometry restraints; ligands; macromolecular refinement; PHENIX

Indexed keywords

LIGAND; MOLECULAR LIBRARY; PROTEIN;

CHEMISTRY; CONFORMATION; MOLECULAR LIBRARY; MOLECULAR MODEL; PROCEDURES; PROTEIN CONFORMATION; PROTEIN DATABASE; SOFTWARE; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN CONFORMATION; PROTEINS; SMALL MOLECULE LIBRARIES; SOFTWARE;

EID: 84987662326     PISSN: None     EISSN: 20597983     Source Type: Journal    
DOI: 10.1107/S2059798316012225     Document Type: Article

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