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Drug-Receptor Binding Energies

To understand the estimation of average drug-receptor binding energies... [Pg.319]

Predicting drug-receptor binding affinity Additivity vs. non-additivity of free energies of weak interactions... [Pg.245]

Hagler, Structure and energies of ligand binding to proteins Escherichia coli dihydrofolate reductase trimethoprim, a drug receptor system, Proteins 4 31 (1988). [Pg.280]

Perez, C., Pastor, M., Ortiz, A.R., and Gago, F. Comparative binding energy analysis of HIV-1 protease inhibitors incorporation of solvent effects and validation as a powerful tool in receptor-based drug design. /. Med. Chem. 1998, 41, 836-852. [Pg.371]

Andrews et al. (1984) have adopted a semi-empirical approach to the calculation of binding energy. They fix the loss of translational and rotational entropy in any drug-receptor association to be 14 kcal/mol (the Williams ACj+r term) and partition binding energy AG (defined as a -t-ve quantity) according to equation (11) ... [Pg.56]

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Binding energie

Binding energy

Drug binding

Drug-receptor

Drug-receptor binding

Receptor binding

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