-

MAIN REFERENCES
-

The current MAIN citation is

  • Turk, D. (2013) MAIN software for density averaging, model building, structure refinement and validation. Acta Cryst. D69, 1342-1357. 'MAIN 2013 paper' .

For the Maximum Likelihood Free Kick (ML FK) refinement target cite:

  • Praznikar, J. & Turk, D. (2014) Free kick instead of cross-validation in maximum-likelihood refinement of macromolecular crystal structures. Acta Cryst. D70, 3124-3134. Free Kick ML refinement target paper .

For the kick map calculations cite:

  • Praznikar J, Afonine PV, Guncar G, Adams PD, Turk D. (2009) Averaged kick maps: less noise, more signal... and probably less bias. Acta Cryst D65 Biol Crystallogr. 921-31. Kick maps paper .

For automatic model building please cite (although the current procedure is significantly different from the first version):

  • Turk, D. (2001) Towards Automatic Macromolecular Crystal Structure Determination. Methods in Macromolecular Crystallography. (Eds Turk. D, Johnson, L) NATO Science Series I, vol 325, ISBN: 1 58603 080 9 (IOS Press), 148-155.

The density modification, map calculation and averaging references:

  • Turk, D. (2007) Density modification in MAIN. V: Read, R. J. and Sussman, J. (eds.). Evolving methods for macromolecular crystallography : proceedings of the NATO Advanced Study Institute on Evolving Methods for Macromolecular Crystallography: (NATO science series, series II., vol. 254). Springer Verlag, 2007, 111-122.

For refining or minimizing protein and nucleic acids or heteromoleculae models please cite the references corresponding to the parameter data set used:

  • Engh, R.A. and Huber, R. (1991) Accurate bond and angle parameters for X-ray protein structure refinement. Acta. Cryst A47, 392-400.
  • G. Parkinson, J. Vojtechovsky, L. Clowney, A.T. Brunger, H.M. Berman (1996) New Parameters for the Refinement of Nucleic Acid Containing Structures, Acta Cryst. D52, 57-64.
  • Andrejasic, M, Praznikar, J, Turk, D. (2008) PURY : a database of geometric restraints of hetero compounds for refinement in complexes with macromolecular structures. Acta crystallogr., D, Biol. crystallogr., 64 (11), 1093-1109. 'PURY 2008 paper' .

When refining multiple crystal forms please cite:

  • Turk, D., Podobnik, M., Kuhelj, R. Dolinar, M., Turk, V.: Crystal structures of human procathepsin B at 3.2 and 3.3 A resolution reveal an interaction motif between a papain like cysteine protease and its propeptide. (1996) FEBS Lett. 384, 211-214.

When using RASTER 3D rendering software please cite:

  • Merritt, E.A. and Bacon, D.J. (1997). Raster3D: Photorealistic Molecular Graphics. Methods in Enzymology, 277, 505-524.