Ligand-protein docking with water molecules.
Roberts BC, Mancera RL, J Chem Inf Model, 2008 Feb - link

Expanded interaction fingerprint method for analyzing ligand binding modes in docking and structure-based drug design.
Kelly MD, Mancera RL, J Chem Inf Comput Sci, 2004 Nov-Dec - link

Assessment of multiple binding modes in ligand-protein docking.
Kallblad P, Mancera RL, Todorov NP, J Med Chem, 2004 Jun 17 - link

Ligand-protein docking using a quantum stochastic tunneling optimization method.
Mancera RL, Kallblad P, Todorov NP, J Comput Chem, 2004 Apr 30 - link