Where freedom is given, liberties are taken.
By Gerard J. Kleywegt, T. Jones. 1995
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
- Pavel V. Afonine
- Paul D. Adams
- D. Liebschner
- T. C. Terwilliger
- Nigel W. Moriarty
- Randy J. Read
- T. Croll
- G. Bunkoczi
Citations in the corpus
- Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix (2019, methodology): “NCS-related atoms can be identified automatically or be defined by the user.”
- Towards automated crystallographic structure refinement with phenix.refine (2012, methodology): “If insufficient care is taken in defining the NCS groups, the above method may be counterproductive (Kleywegt & Jones, 1995; Kleywegt, 1996, 1999, 2001; Usón et al., 1999).”
- New tools for the analysis and validation of cryo-EM maps and atomic models (2018, background): “Model validation also plays a key role in identifying scientific fraud (Janssen et al., 2007) and misinterpretation of experimental data (Chang et al., 2006; see also Branden & Jones (1990), Kleywegt & Jones (1995), Kleywegt, 2000, and references therein).”
- Phi/psi-chology: Ramachandran revisited. (1996, background): “If NCS is involved, we suggest that more care should be taken during refinement to prevent the introduction of artefacts [1,14].”
- Implementing an X-ray validation pipeline for the Protein Data Bank (2012, methodology): “For more general reviews of the types of errors that can occur in protein crystal structures as well as of validation methods that can be used to detect (some of) these, we refer to the literature (Brändén & Jones, 1990; Kleywegt & Jones, 1995, 1996, 1997, 2002; Kleywegt, 2000, 2007, 2009).”
- ISOLDE: a physically realistic environment for model building into low-resolution electron-density maps (2018, background): “This fact has long been recognized (Kleywegt & Jones, 1995), and over the past two decades it has been common to see 3–4 Å resolution structures published with outlier rates 1–2 orders of magnitude higher than would be expected from atomic resolution structures (Croll & Andersen, 2016).”
- Checking your imagination: applications of the free R value. (1996, methodology): “Finally, the degree of over-fitting; the smaller the ratio of diffraction observations to model parameters, the more a model will be over-fitted [ 12 ].”