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Ligand free energy

THE CHALLENGES OF MAKING USEFUL PROTEIN-LIGAND FREE ENERGY PREDICTIONS FOR DRUG DISCOVERY... [Pg.321]

Application of Multiple-Ligand Free Energy Methods... [Pg.216]

For structurally similar ligands, free energy methods predict differences in binding affinity to a receptor molecule more accurately than any other molecular modeling method. [Pg.286]

Figure 3.1 Maximal affinity of ligands. Free energy of binding (in kcal/mol) for ligands and enzyme inhibitors plotted as a function of the number of nonhydrogen atoms in the ligand. A line with slope of 1.5 kcal/mol and an intercept of 0 is included as a visual aid to analysis. Figure 3.1 Maximal affinity of ligands. Free energy of binding (in kcal/mol) for ligands and enzyme inhibitors plotted as a function of the number of nonhydrogen atoms in the ligand. A line with slope of 1.5 kcal/mol and an intercept of 0 is included as a visual aid to analysis.
See other pages where Ligand free energy is mentioned: [Pg.327]    [Pg.332]    [Pg.229]    [Pg.313]    [Pg.316]    [Pg.229]    [Pg.59]    [Pg.456]    [Pg.1610]   
See also in sourсe #XX -- [ Pg.13 ]



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