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References
- ↑ Brooks B. R., Brooks III C. L., Mackerell A. D., Nilsson L., Petrella R. J., Roux B., Won Y., Archontis G., Bartels C., Boresch S., Caflisch A., Caves L., Cui Q., Dinner A. R., Feig M., Fischer S., Gao J., Hodoscek M., Im W., Kuczera K., Lazaridis T., Ma J., Ovchinnikov V., Paci E., Pastor R. W., Post C. B., Pu J. Z., Schaefer M., Tidor B., Venable R. M., Woodcock H. L., Wu X., Yang W., York D. M. and Karplus M. CHARMM: The Biomolecular simulation Program, J. Comput. Chem.2009, 30, 1545-1615.
- ↑ Eswar N., Marti-Renom M.A., Webb B., Madhusudhan M.S., Eramian D., Shen M., Pieper U., Sali A. Comparative Protein Structure Modeling With MODELLER. Current Protocols in Bioinformatics, John Wiley & Sons, Inc., 2006, Supplement 15, 5.6.1-5.6.30.
- ↑ W.Rocchia, E.Alexov, and B.Honig. Extending the Applicability of the Nonlinear Poisson-Boltzmann Equation: Multiple Dielectric Constants and Multivalent Ions. J. Phys. Chem. B, 2001, 105, 6507-6514.
- ↑ Chen R., Weng Z. ZDOCK: An Initial-stage Protein-Docking Algorithm. Proteins2003, 52, 80-87.
- ↑ Matsuzawa N., Seto J., DixonD. A., J. Phys. Chem. A, 1997, 101, 9391.
- ↑ Delley Bi, J. Chem. Phys., 1990, 92, 508; ibid, 1991, 94, 7245; ibid, 2000, 7756.
- ↑ Sutter A., Jiabo L., Maynard A.J., Goupil A., Luu T., Katalin N., New Features that Improve the Pharmacophore Tools from Accelrys
- ↑ Luu T., Malcolm N., Nadassy K., Pharmacophore Modeling Methods in Focused Library Selection -Applications in the Context of a New Classification Scheme, Comb. Chem. & High Thr. Screening, 2011, 14(6), pp. 488-499(12)
- ↑ Haider M.K., Bertrand H.-O., Hubbard R.E., Predicting Fragment Binding Poses Using a Combined MCSS MM-GBSA Approach, J. Chem. Inf. Model., 2011, 51 (5), pp 1092–1105
- ↑ Corradia V., Mancinib M, Santuccib M.A., Carlomagnoc T., Sanfelicec D., Moria M., Vignarolia G., Falchia F., Manettia F., Radia M., Botta M., Computational techniques are valuable tools for the discovery of protein–protein interaction inhibitors: The 14-3-3σ case
- ↑ Almagro J.C., Beavers M.P., Hernandez-Guzman F., Maier J., Shaulsky J., Butenhof K., Labute P., Thorsteinson N., Kelly K., Teplyakov A., Luo J., Sweet R., Gilliland G.L., Antibody modeling assessment, Proteins: Structure, Function, and Bioinformatics, 2011, 79(11), pages 3050–3066.