• Docs »
  • <no title>
[Koch-1974]Koch, M.H., “Automatic interpretation of electron-density maps for organic structures,” Acta Cryst., Vol. A30, pp. 67-70, 1974
[Main-1978]Main, P. and Hull, S., “The recognition of molecular fragments in E maps and electron density maps,” Acta Cryst., Vol. A34, pp. 353-361, 1978
[Cascarano-1991]Cascarano, G., Giacovazzo, C., Camalli, M., Spagna, R. and Watkin, D., “Automatic solution and refinement of crystal structures by means of the package UNIQUE,” Acta. Cryst., Vol. A47, pp. 373-381, 1991
[Murshudov-1997]Murshudov G.N., Vagin A.A. and Dodson E.J., “Refinement of macromolecular structures by maximum-likelihood method,” Acta Cryst., Vol. D53, pp. 240-255, 1997
[Adams-2010]P. D. Adams, P. V. Afonine, G. Bunkóczi, V. B. Chen, I. W. Davis, N. Echols, J. J. Headd, L.-W. Hung, G. J. Kapral, R. W. Grosse-Kunstleve, A. J. McCoy, N. W. Moriarty, R. Oeffner, R. J. Read, D. C. Richardson, J. S. Richardson, T. C. Terwilliger and P. H. Zwart. “PHENIX: a comprehensive Python-based system for macromolecular structure solution.” Acta Cryst., D66, 213-221 2010
[Brunger-1998]Brunger A.T., Adams P.D., Clore G.M., DeLano W.L., Gros P., Grosse-Kunstleve R.W., Jiang J.-S., Kuszewski J., Nilges M., Pannu N.S., Read R.J., Rice L.M., Simonson T. and Warren G.L., “CNS/CNX Crystallography & NMR System: A new software suite for macromolecular structure determination,” Acta Cryst., Vol. D54, pp. 905-921, 1998
[Halgren-1999]Halgren, T.A., “MMFF VI. MMFF94s Option for Energy Minimization Studies,” J. Comp. Chem., Vol. 20(7), pp. 720-729, 1999
[Diller-1999]Diller, D.J. and Verlinde, C., “A critical evaluation of several global optimization algorithms for the purpose of molecular docking,” J. Comp. Chem., Vol. 20(16), pp. 1740-1751, 1999
[Oldfield-2001]Oldfield, T., “Creating structure features by data mining the PDB to use as molecular-replacement models,” Acta Cryst., Vol. D57, pp. 696-705, 2001
[Altomare-2002]Altomare, A., Giacovazzo, C., Ianigro, M., Moliterni, A. and Rizzi, R., “Peak labelling in electron density maps from powder data: the use of crystal chemical information,” J. Appl. Cryst., Vol. 35, pp. 21-27, 2002
[Menendez-2003]Menendéz-Velazquez, A. and Garcià-Granda, S., “A procedure towards the automatic solution of crystal structures by means of topological analysis of Fourier maps,” J. Appl. Cryst., Vol. 36, pp. 193-205, 2003
[Vagin-2004]Vagin A.A., Steiner R.A., Lebedev A.A., Potterton L., McNicholas S., Long F. and Murshudov G.N., “REFMAC5 dictionary: organization of prior chemical knowledge and guidelines for its use,” Acta Cryst., Vol. D60, pp. 2184-2195, 2004
[Zwart-2004]Zwart, P., Langer G. and Lamzin V., “Modelling bound ligands in protein crystal structures,” Acta Cryst., Vol. D60, pp. 2230-2239, 2004
[EDS]Kleywegt, G.J., Harris, M.R., Zou, J.Y., Taylor, T.C., Wählby, A. and Jones, T.A., “The Uppsala Electron-Density Server,” Acta Cryst., Vol. D60, pp. 2240-2249, 2004
[Perola-2004]Perola, E. and Charifson, P.S., “Conformational analysis of drug-like molecules bound to proteins: an extensive study of ligand reorganization upon binding,” J. Med. Chem., Vol. 47(10), pp. 2499-2510, 2004
[Wlodek-2005]Wlodek, S., Skillman, A.G. and Nicholls, A., “Automated ligand placement and refinement with a combined force field and shape potential,” Acta Cryst., Vol. D62, pp. 741-749, 2006
[Eldridge-1997]M.D. Eldridge, C.W. Murray, T.R. Auton, G.V. Paolini, R.P. Mee, “Empirical scoring functions. I: The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes,” J. Comput.- Aided Mol. Des., 11, 1997, pp. 425-445
[Verkhivker-2000]Verkhivker, GM, Bouzida, D, Gehlhaar, DK, Rejto, PA, Arthurs, S, Colson, AB, Freer, ST, Larson, V, Luty, BA, Marrone, T, and Rose, PW, “Deciphering common failures in molecular docking of ligand-protein complexes”, Journal of Computer-Aided Molecular Design, 14(2000), 731-751)
[public-monomers]online: http://pdb.rutgers.edu/public-component-erf.cif, March 2010