Binding Affinity Calculation

Binding affinity refers to how strongly a molecule, such as a drug, binds to its target, like a protein. It’s usually measured by a value called the dissociation constant (Kd); the lower the Kd, the stronger the binding. Calculating binding affinity involves experiments or computer models that assess how favorably the two molecules interact. These calculations consider factors like the energy released during binding and how well the molecules fit together. Accurate affinity measurements help scientists understand drug effectiveness and select compounds with optimal interactions for therapeutic purposes.