Peter Reilly’s Recent Publications

Submitted/Accepted

  • Warner, C. D., C. Ford, and P. J. Reilly. Kinetics and Modeling of Disproportionation Reactions Catalyzed by Clostridium acetobutylicum and Ruminococcus flavefaciens Endoglucanases. Biotechnol. Bioeng., submitted for publication.
  • Cantu, D. C., T. Dai, Z. S. Beversdorf, and P. J. Reilly. Structural Classification and Properties of Ketoacyl Reductases, Hydroxyacyl Dehydratases, and Enoyl Reductases. Protein Eng. Des. Sel., submitted for publication.
  • Hill, A. D., and P. J. Reilly. Scoring Functions for AutoDock. Molecular Methods in Biochem­istry. M. Frank and T. Lüttke, eds. Part III – Structural Bioinformatics. Springer. Accepted for publication.

In Press

  • Warner, C. D., G. Camci-Unal, N. L. B. Pohl, C. Ford, and P. J. Reilly. Substrate Binding by the Catalytic Domain and Carbohydrate Binding Module of Ruminococcus flavefaciens FD-1 Xyloglucanase/Endoglucanase. Ind. Eng. Chem. Res., in press.
  • Chen, Y., A. Elizondo-Noriega, D. C. Cantu, and P. J. Reilly. Structural Classification of Biotin Carboxyl Carrier Proteins. Biotechnol. Lett., in press.

2012

  • Cantu, D. C., M. J. Forrester, K. Charov, and P. J. Reilly. Acyl Carrier Protein Structural Classi­fication and Normal Mode Analysis. Protein Sci., 21, 655 (2012).

2011

  • Chen, Y., E. E. Kelly, R. P. Masluk, C. L. Nelson, D. C. Cantu, and P. J. Reilly. Structural Classification and Properties of Ketoacyl Synthases. Protein Sci., 20, 1659 (2011).
  • Jing,F., D C. Cantu, J. Tvaruzkova, J. P. Chipman, B. J. Nikolau, M. D. Yandeau-Nelson,  and P. J. Reilly. Phylogenetic and Experimental Characterization of an Acyl-ACP Thioesterase Family Reveals Significant Diversity in Enzymatic Specificity and Activity. BMC Biochem., 12, 44 (2011).
  • Cantu, D. C., Y. Chen, M. L. Lemons, and P. J. Reilly. ThYme: A Database for Thioester-Active Enzymes. Nucleic Acids Res., 39, D342 (2011).
  • Warner, C. D., R. M. Go, C. García-Salinas, C. Ford, and P. J. Reilly.Kinetic Characterization of a Glycoside Hydrolase Family 44 Endoglucanase from Ruminococcus flavefaciens FD-1. Enzyme Microb. Technol., 48, 27 (2011).

2010

  • Barker, I. J., L. Petersen, and P. J. Reilly. Mechanism of Xylobiose Hydrolysis by GH43 b-Xylosidase. J. Phys. Chem. B, 114, 15389 (2010).
  • Cantu, D. C., Y. Chen, and P. J. Reilly. Thioesterases: A New Perspective Based on Their Primary and Tertiary Structures. Protein Sci., 19, 1281 (2010).
  • Petersen, L., A. Ardèvol, C. Rovira, and P. J. Reilly. Molecular Mechanism of the Glycosylation Step Catalyzed by Golgi a-Mannosidase II. A QM/MM Metadynamics Investigation. J. Am. Chem. Soc., 132, 8291 (2010).
  • Warner, C. D., J. A. Hoy, T. C. Shilling, M. J. Linnen, N. D. Ginder, C. F. Ford, R. B. Hon­zatko, and P. J. Reilly. Tertiary Structure and Characterization of a Glycoside Hydrolase Family 44 Endoglucanase from Clostridium acetobutylicum. Appl. Environ. Microbiol., 76, 338 (2010).

2009

  • Johnson, G. P., L. Petersen, A. D. French, and P. J. Reilly. Twisting of Glycosidic Bonds by Hydrolases. Carbohydr. Res., 344, 2157 (2009).
  • Petersen, L., A. Ardèvol, C. Rovira, and P. J. Reilly. Mechanism of Cellulose Hydrolysis by Inverting GH8 Endoglucanases: A QM/MM Metadynamics Study. J. Phys. Chem. B, 113, 7331 (2009).
  • Mertz, B., X. Gu, and P. J. Reilly. Analysis of Functional Divergence within Two Structurally Related Glycoside Hydrolase Families. Biopolymers, 91, 478 (2009).

2008

  • Hill, A. D., and P. J. Reilly. Computational Analysis of Glycoside Hydrolase Family 1 Specific­ities. Biopolymers, 89, 1021 (2008).
  • Cantú, D., W. Nerinckx, and P. J. Reilly. Theory and Computation Show That Asp463 Is the Catalytic Proton Donor in Human Endoplasmic Reticulum a-1,2-Mannosidase I. Carbohydr. Res., 343, 2235 (2008).
  • Fushinobu, S., B. Mertz, A. D. Hill, M. Hidaka, M. Kitaoka, and P. J. Reilly. Computational Analyses of the Conformational Itinerary along the Reaction Pathway of GH94 Cellobiose Phosphorylase. Carbohydr. Res., 343, 1023 (2008).
  • Hill, A. D., and P. J. Reilly. A Gibbs Free Energy Correlation for Automated Docking of Carbo­hydrates. J. Comput. Chem., 29, 1131 (2008).

2007

  • Mulakala, C., W. Nerinckx, and P. J. Reilly. The Fate of b-D-Mannopyranose after Its Formation By Endoplasmic Reticulum alpha 1-Mannosidase I Catalysis. Carbohydr. Res., 342, 163 (2007).
  • Hill, A. D., and P. J. Reilly. Puckering Coordinates of Monocyclic Rings by Triangular Decom­position. J. Chem. Informat. Model., 47, 1031 (2007).
  • Trabue, S., K. Scoggin, S. Tjandrakusuma, M. A. Rasmussen, and P. J. Reilly. Ruminal Fermen­tation of Propylene Glycol and Glycerol. J. Agric. Food Chem., 55, 7043 (2007).
  • Mertz, B., A. D. Hill, C. Mulakala, and P. J. Reilly. Automated Docking to Explore Subsite Binding by Glycoside Hydrolase Family 6 Cellobiohydrolases and Endoglucanases. Biopoly­mers, 87, 249 (2007).

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

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