Crystallographic refinement of ligand complexes
Open Access
- 13 December 2006
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Acta Crystallographica Section D-Biological Crystallography
- Vol. 63 (1), 94-100
- https://doi.org/10.1107/s0907444906022657
Abstract
Methods and resources for obtaining chemically plausible starting models and restraint sets for refinement of ligand complexes are described and some of the potential pitfalls are discussed.Keywords
This publication has 33 references indexed in Scilit:
- Ligand identification using electron-density map correlationsActa Crystallographica Section D-Biological Crystallography, 2006
- An introduction to stereochemical restraintsActa Crystallographica Section D-Biological Crystallography, 2006
- Assessment of automatic ligand building inARP/wARPActa Crystallographica Section D-Biological Crystallography, 2006
- ChemDB: a public database of small molecules and related chemoinformatics resourcesBioinformatics, 2005
- REFMAC5 dictionary: organization of prior chemical knowledge and guidelines for its useActa Crystallographica Section D-Biological Crystallography, 2004
- Announcing the worldwide Protein Data BankNature Structural & Molecular Biology, 2003
- A new test set for validating predictions of protein–ligand interactionProteins-Structure Function and Bioinformatics, 2002
- Refinement of Macromolecular Structures by the Maximum-Likelihood MethodActa Crystallographica Section D-Biological Crystallography, 1997
- New parameters for the refinement of nucleic acid-containing structuresActa Crystallographica Section D-Biological Crystallography, 1996
- Crystal structures of cellular retinoic acid binding proteins I and II in complex with all-trans-retinoic acid and a synthetic retinoidStructure, 1994