Summary
The approach to use difference maps depicting differences in 3-D QSAR coefficients of different biological activities to analyze and monitor selectivity is described.
Similar content being viewed by others
References
Ramsden, C.A. (Ed.), Comprehensive Medicinal Chemistry, Vol. 4, Quantitative Drug Design, Pergamon, Oxford, 1990.
Ghose, A.K., Crippen, G.M., Revankar, G.R., McKernan, P.A., Smee, D.F. and Robins, R.K., J. Med. Chem., 32 (1989) 746.
CramerIII, R.D., Patterson, D.E. and Bunce, J.D., J. Am. Chem. Soc., 110 (1988) 5959.
Mickelson, K.E., Forsthoefel, J. and Westphal, U., Biochemistry, 20 (1981) 6211.
Mickelson, K.E. and Westphal, U., Biochemistry, 19 (1980) 585.
Norinder, U., J. Comput.-Aided Mol. Design, 4 (1990) 389.
Wold, S., Albano, C., DunnIII, W.J., Edlund, U., Esbensen, K., Geladi, P., Hellberg, S., Johansson, E., Lindberg, W. and Sjöström, M. In Kowalski, B.R. (Ed.), Chemometrics: Mathematics and Statistics in Chemistry, NATO ASI Series C138, Reidel, Dordrecht, 1984, pp. 17–96.
Wold, S., Technometrics, 20 (1979) 379.
Öhman, J., Calibration and Background Correction with Partial Least Squares Regression in Liquid Chromatography, Thesis, University of Umeå, 1988.
Chem-X, developed and distributed by Chemical Design Ltd., Oxford, U.K.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Norinder, U. 3-D QSAR analysis of steroid/protein interactions: The use of difference maps. J Computer-Aided Mol Des 5, 419–426 (1991). https://doi.org/10.1007/BF00125662
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/BF00125662