Antibody-catalyzed oxy-cope rearrangement: mechanism and origins of catalysis and stereoselectivity from DFT quantum mechanics and flexible docking.
Black KA, Leach AG, Kalani MY, Houk KN, J Am Chem Soc, 2004 Aug 11 - link

Transition state docking: a probe for noncovalent catalysis in biological systems. Application to antibody-catalyzed ester hydrolysis.
Tantillo DJ, Houk KN, J Comput Chem, 2002 Jan 15 - link