Molecular dynamics applied to X-ray structure refinement.

By A. Brunger, Paul D. Adams. 2002

66 citations recorded by the source corpus.

Subfields: 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 Materials Chemistry

1. Paul D. Adams
2. Pavel V. Afonine
3. Nigel W. Moriarty
4. T. C. Terwilliger
5. Alexandre Urzhumtsev
6. Nathaniel Echols
7. M. Mustyakimov
8. J. Headd

In Molecular Biology

1. Paul D. Adams
2. Pavel V. Afonine
3. T. C. Terwilliger
4. Nigel W. Moriarty
5. Alexandre Urzhumtsev
6. Nathaniel Echols
7. M. Mustyakimov
8. J. Headd

Citations in the corpus

• Towards automated crystallographic structure refinement with phenix.refine (2012, background): “…can reach only the nearest local minimum; therefore, sophisticated search algorithms such as rotamer optimization (recently implemented in phenix.refine) or simulated annealing (Brünger et al., 1987; Adams et al., 1997; Brunger et al., 2001; Brunger & Adams, 2002) may need to be applied.”
• Generalized X-ray and neutron crystallographic analysis: more accurate and complete structures for biological macromolecules (2009, methodology): “The use of molecular-dynamics simulated annealing can be used to reduce the dangers of local minima by increasing the radius of convergence (Brünger et al., 1987; Adams et al., 1997; Brunger & Adams, 2002).”