Automated ligand placement and refinement with a combined force field and shape potential

Wlodek, S.; Skillman, A.G.; Nicholls, A.

doi:10.1107/S0907444906016076

Acta Crystallographica Section D
Acta Crystallographica
Section D BIOLOGICAL CRYSTALLOGRAPHY

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 6
(a) R.m.s.d. between fitted structure of a single retinoic acid conformer and its PDB structure with the use of different set of convoluted electron-density grids calculated at 0.25 Å resolution (diamonds) and 0.5 Å resolution subsequently interpolated to 0.25 Å resolution (squares). The Δσ values on the horizontal axis are increments between Gaussian functions used for convolution of electron density. (b) Corresponding CPU times.

BIOLOGICAL
CRYSTALLOGRAPHY

ISSN: 1399-0047

Volume 62| Part 7| June 2006| Pages 741-749

doi:10.1107/S0907444906016076

Follow Acta Cryst. D

Search term		doi		Advanced search
Author		volume	page