New and fast statistical-thermodynamic method for computation of protein-ligand binding entropy substantially improves docking accuracy.
Ruvinsky AM, Kozintsev AV, J Comput Chem, 2005 Aug - link

Novel knowledge-based potentials for ligand docking: variational approach to the old problem.
Ruvinsky AM, Kozintsev AV, Biophys Chem, 2005 Apr 1 - link