The good, the bad and the twisted: A survey of ligand geometry in protein crystal structures

Journal of Computer-Aided Molecular Design

Volumn 26, Issue 2, 2012, Pages 169-183

  Liebeschuetz, John ^a   Hennemann, Jana ^b   Olsson, Tjelvar ^a   Groom, Colin R ^a  

^a CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

Conformation; CSD; PDB; Structure validation Ligand strain; X ray refinement

Indexed keywords

PROTEINS; QUALITY CONTROL;

CRYSTALS STRUCTURES; CSD; DATABANKS; INTERMOLECULAR INTERACTIONS; PDB; PROTEIN CRYSTAL; PROTEINS STRUCTURES; STRUCTURE BASED DRUG DESIGNS; STRUCTURE VALIDATION LIGAND STRAIN; X-RAY REFINEMENT;

LIGANDS;

DARUNAVIR;

AMINO TERMINAL SEQUENCE; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DRUG DESIGN; ENERGY TRANSFER; ENTROPY; GEOMETRY; HISTOGRAM; LIGAND BINDING; MECHANICAL TORSION; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN DATA BANK; PROTEIN DATABASE; PROTEIN MOTIF; PROTEIN STRUCTURE; STATISTICAL ANALYSIS; X RAY DIFFRACTION;

EID: 84863097556     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9538-6     Document Type: Article

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