Exploring hierarchical refinement techniques for induced fit docking with protein and ligand flexibility.
Borrelli KW, Cossins B, Guallar V, J Comput Chem, 2009 Nov 2 - link

Importance of accurate charges in molecular docking: quantum mechanical/molecular mechanical (QM/MM) approach.
Cho AE, Guallar V, Berne BJ, Friesner R, J Comput Chem, 2005 Jul 15 - link