A robust bulk-solvent correction and anisotropic scaling procedure

By Pavel V. Afonine, R. Grosse-Kunstleve, Paul D. Adams. 2005

153 citations recorded by the source corpus.

A robust method for determining bulk-solvent and anisotropic scaling parameters for macromolecular refinement is described. A maximum-likelihood target function for determination of flat bulk-solvent model parameters and overall anisotropic scale factor is also proposed.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Molecular Biology

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computational Theory and Mathematics

1. Paul D. Adams
2. Randy J. Read
3. Pavel V. Afonine
4. T. C. Terwilliger
5. A. McCoy
6. Nigel W. Moriarty
7. M. Sammito
8. R. Oeffner

In Materials Chemistry

1. Paul D. Adams
2. Pavel V. Afonine
3. T. C. Terwilliger
4. Randy J. Read
5. Nigel W. Moriarty
6. T. Croll
7. Nathaniel Echols
8. A. McCoy

In Molecular Biology

1. Paul D. Adams
2. Pavel V. Afonine
3. Randy J. Read
4. T. C. Terwilliger
5. Nigel W. Moriarty
6. Nathaniel Echols
7. A. McCoy
8. T. Croll

Citations in the corpus

• Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix (2019, positive): “Each refinement run begins with bulk-solvent correction and anisotropic scaling (Afonine et al., 2005, 2013).”
• Towards automated crystallographic structure refinement with phenix.refine (2012, positive): “It can be a least-squares target (LS; for example, as defined in Afonine et al. , 2005 a ), an amplitude-based maximum-likelihood target (ML; for example, as defined in Afonine et al. , 2005 a ) or a phased maximum-likelihood target (MLHL; Pannu et al. , 1998).”