A Gibbs free energy correlation for automated docking of carbohydrates.
Hill AD, Reilly PJ, J Comput Chem, 2008 May - link

Automated docking to explore subsite binding by glycoside hydrolase family 6 cellobiohydrolases and endoglucanases.
Mertz B, Hill AD, Mulakala C, Reilly PJ, Biopolymers, 2007 Nov - link

Docking studies on glycoside hydrolase Family 47 endoplasmic reticulum alpha-(1-->2)-mannosidase I to elucidate the pathway to the substrate transition state.
Mulakala C, Nerinckx W, Reilly PJ, Carbohydr Res, 2006 Sep 25 - link

Force calculations in automated docking: enzyme-substrate interactions in Fusarium oxysporum Cel7B.
Mulakala C, Reilly PJ, Proteins, 2005 Nov 15 - link

Hypocrea jecorina (Trichoderma reesei) Cel7A as a molecular machine: A docking study.
Mulakala C, Reilly PJ, Proteins, 2005 Sep 1 - link

Visualizing complexes of phospholipids with Streptomyces phospholipase D by automated docking.
Aikens CL, Laederach A, Reilly PJ, Proteins, 2004 Oct 1 - link

Specific empirical free energy function for automated docking of carbohydrates to proteins.
Laederach A, Reilly PJ, J Comput Chem, 2003 Nov 15 - link

Understanding protein structure-function relationships in Family 47 alpha-1,2-mannosidases through computational docking of ligands.
Mulakala C, Reilly PJ, Proteins, 2002 Oct 1 - link

Automated docking of alpha-(1-->4)- and alpha-(1-->6)-linked glucosyl trisaccharides and maltopentaose into the soybean beta-amylase active site.
Rockey WM, Laederach A, Reilly PJ, Proteins, 2000 Aug 1 - link

Automated docking of maltose, 2-deoxymaltose, and maltotetraose into the soybean beta-amylase active site.
Laederach A, Dowd MK, Coutinho PM, Reilly PJ, Proteins, 1999 Nov 1 - link

Automated docking of glucosyl disaccharides in the glucoamylase active site.
Coutinho PM, Dowd MK, Reilly PJ, Proteins, 1997 Jun - link

Automated docking of monosaccharide substrates and analogues and methyl alpha-acarviosinide in the glucoamylase active site.
Coutinho PM, Dowd MK, Reilly PJ, Proteins, 1997 Feb - link

Automated docking of glucoamylase substrates and inhibitors.
Coutinho PM, Dowd MK, Reilly PJ, Ann N Y Acad Sci, 1996 Oct 12 - link