Modelling bound ligands in protein crystal structures.

  title={Modelling bound ligands in protein crystal structures.},
  author={Peter H. Zwart and G. Langer and Victor S. Lamzin},
  journal={Acta crystallographica. Section D, Biological crystallography},
  volume={60 Pt 12 Pt 1},
Methods for automated identification and building of protein-bound ligands in electron-density maps are described. An error model of the geometrical features of the molecular structure of a ligand based on a lattice distribution of positional parameters is obtained via simulation and is used for the construction of an approximate likelihood scoring function. This scoring function combined with a graph-based search technique provides a flexible model-building scheme and its application shows… CONTINUE READING

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Acta Cryst

  • T. C. Terwilliger
  • D59, 38±44. Vagin, A., Murshudov, G., Dodson, E…
  • 2003

MONLIB , a Multi - purpose Dictionary for Macromolecules

  • E. Weisstein
  • Unpublished results
  • 2003

MONLIB, a Multi-purpose Dictionary

  • S. Wodak
  • 2003


  • R. Rizzi
  • Appl. Cryst. 35, 21±27. Badger, J. (2003). Acta…
  • 2002

Structure, 6, 363±376

  • R W., V. S. Lamzin, K. S. Wilson
  • Acta Cryst
  • 1998

Structure, 2, 1241±1258

  • T. A. Jones
  • Acta Cryst
  • 1994

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