Intermolecular interactions: biological affinity and free energy variation
Molecular modeling and design of new ligands of biological interests

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Intermolecular interactions: biological affinity and free energy variation


Molecular modeling and design of new ligands of biological interests

Author : Ronan BUREAU

Publication date: June 10, 2014 | Lire en français

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2. Intermolecular interactions: biological affinity and free energy variation

2.1 The physical principle of affinity

  • For non-covalent intermolecular interactions between two molecules, a macromolecule and a ligand, an equilibrium association constant called K eq is determined, valid at a given temperature. This constant, described in relation to the law of mass action (5) , reflects the affinity between a protein P and a ligand L :

    Keq =[PL]/[P][L]
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