Structural Biology Software Database
Structural Biology Software Database

Application Index Record

Category: Molecular Docking
Last Update: 04-17-2001

Liaison is a new commercial program for fast estimation of free energy of binding between a receptor and a ligand. Built on the idea of Aqvist et al. [1], the free energy of binding can be approximated by an equation in which only the free and bound states of the ligand are calculated. The method combines high-level molecular mechanics calculations with experimental data to build a scoring function for the evaluation of ligand-receptor binding free energies.


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