Receptor binding

2_18
Separation of an overall binding or dissociation event into two steps. The intrinsic binding step is characterized by rate constants kon and koff which are determined by receptor and ligand molecular properties. The transport step is characterized by rate constant k+, and is influenced by diffusion and geometric considerations. The state in which receptor and ligand are close enough to bind but have not yet done so is sometimes termed the encounter complex.

Fig 4-12

Brownian dynamics calculations for the movement of a ligand. The position of the ligand after a time step of deltat is determined by its previous position, the influence of deterministic electrostatic forces, and the random thermal displacement.