Application of the SCC-DFTB Method to Hydroxide Water Clusters and Aqueous Hydroxide Solutions von Choi, Tae Hoon, Liang, Ruibin, Maupin, C. Mark, Voth, Gregory A

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Elucidating the conformational energetics of glucose and cellobiose in ionic liquids von Bharadwaj, Vivek S, Schutt, Timothy C, Ashurst, Timothy C, Maupin, C Mark

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The impact of active site protonation on substrate ring conformation in Melanocarpus albomyces cellobiohydrolase Cel7B von Schutt, Timothy C, Bharadwaj, Vivek S, Granum, David M, Maupin, C. Mark

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Proton transport in carbonic anhydrase: Insights from molecular simulation von Maupin, C. Mark, Voth, Gregory A.

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Computational Evaluation of the Dynamic Fluctuations of Peripheral Loops Enclosing the Catalytic Tunnel of a Family 7 Cellobiohydrolase von Granum, David M., Schutt, Timothy C., Maupin, C. Mark

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Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism - a gas-phase ab initiostudy von Bharadwaj, Vivek S, Vyas, Shubham, Villano, Stephanie M, Maupin, CMark, Dean, Anthony M

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Computational Evaluations of Charge Coupling and Hydrogen Bonding in the Active Site of a Family 7 Cellobiohydrolase von Granum, David M, Vyas, Shubham, Sambasivarao, Somisetti V, Maupin, C. Mark

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pK sub(a) Determination of Histidine Residues in alpha -Conotoxin MII Peptides by super(1)H NMR and Constant pH Molecular Dynamics Simulation von McDougal, Owen M, Granum, David M, Swartz, Mark, Rohleder, Conrad, Maupin, CMark

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Anion exchange membranes composed of a poly(2,6-dimethyl-1,4-phenylene oxide) random copolymer functionalized with a bulky phosphonium cation von Liu, Ye, Zhang, Bingzi, Kinsinger, Corey L., Yang, Yuan, Seifert, Soenke, Yan, Yushan, Mark Maupin, C., Liberatore, Matthew W., Herring, Andrew M.

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