Further Readings

Ajay, A. and Murcko, M. A. 1995. Computational methods to predict binding free energies in ligand-receptor complexes. J. Med. Chem. 38:4953-4967. Andrews, P. R. 1993. Drug-receptor interactions. In 3D QSAR in Drug Design: Theory, Methods and Applications, Kubinyi, H. (ed.), ESCOM Science Publishers B.V., Leiden, the Netherlands, pp. 583-618. Andrews, P. R., Craig, D. J., and Martin, J. L. 1984. Functional group contributions to drug-receptor interactions

J. Med. Chem. 27:1648-1657. Bostrom, J., Norrby, P.-O., and Liljefors, T. 1998. Conformational energy penalties of protein-bound ligands. J. Comput. AidedMol. Des. 12:383-396.

Davies, A. M. and Teague, S. J. 1999. Hydrogen bonding, hydrophobic interactions, and failure of the rigid receptor. Angew. Chem. Int. Ed. 38:736-749. Jencks, W. P. 1981. On the attribution and additivity of binding energies. Proc. Natl. Acad. Sci. U.S.A. 78:4046-4050.

Murray, C. W. and Verdonk, M. J. 2002. The consequences of translational and rotational entropy lost by small molecules on binding to proteins. J. Comput. AidedMol. Des. 16:741-753. Williams, D. H., Cox, J. P. L., Doig, A. J., Gardner, M., Cerhard, U., Kaye, P. T., Lal, A. R., Nicholls, I. A., Salter, C. J., and Mitchellf, R. C. 1991. Toward the semiquantitative estimation of binding constants. Guides for peptide-peptide binding in aqueous solution. J. Am. Chem. Soc. 113:7020-7030.

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