Models of protein-ligand crystal structures: Trust, but verify

Journal of Computer-Aided Molecular Design

Volumn 29, Issue 9, 2015, Pages 817-836

  Deller, Marc C ^a,b   Rupp, Bernhard ^c,d  

^a Joint Center for Structural Genomics   (United States)

^b SCRIPPS RESEARCH INSTITUTE   (United States)

^c Medical University of Innsbruck ^*  (United States)

^d INNSBRUCK MEDICAL UNIVERSITY   (Austria)

Author keywords

Crystal structure; Protein structure; Protein ligand complex; Quality control; Structure validation; Structure based drug design

Indexed keywords

CARRIER CONCENTRATION; COMPLEXATION; COMPUTATIONAL METHODS; CRYSTAL STRUCTURE; ELECTRON DENSITY MEASUREMENT; ELECTRONS; LIGANDS; PROTEINS;

ACCURATE MODELING; ATOMIC MODELS; CRYSTALS STRUCTURES; PROTEIN LIGANDS; PROTEIN-LIGAND COMPLEXES; PROTEIN-LIGAND STRUCTURES; PROTEINS STRUCTURES; STRUCTURE BASED DRUG DESIGNS; STRUCTURE VALIDATION; TRUST-BUT-VERIFY;

X RAY CRYSTALLOGRAPHY;

LIGAND; PROTEIN;

ARTICLE; COMPUTER PROGRAM; CRYSTAL; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; ELECTRON; LIGAND BINDING; MACROMOLECULAR CRYSTALLOGRAPHY; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN DATA BANK; PROTEIN STRUCTURE; STEREOCHEMISTRY; VALIDATION PROCESS; X RAY CRYSTALLOGRAPHY; CHEMISTRY; DRUG DESIGN; METABOLISM; PROTEIN CONFORMATION; PROTEIN DATABASE; REPRODUCIBILITY; SOFTWARE;

CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEINS; REPRODUCIBILITY OF RESULTS; SOFTWARE;

EID: 84944353843     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-015-9833-8     Document Type: Article

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