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

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Figure 8
Fitted (left) and PDB structures (right). (a) 1di9 , quinazoline in p38 kinase. (b) 1ajx , cyclic urea in HIV protease. (c) 1ld8 , IC49 in farnesyltransferase.

BIOLOGICAL
CRYSTALLOGRAPHY

ISSN: 1399-0047

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

doi:10.1107/S0907444906016076

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