Publications

• “Probing the Structure and Dynamics of Confined Water in AOT Reverse Micelles” Anna Victoria Martinez, Laura Dominguez, Edyta Malolepsza, Adam Moser, Zack Ziegler, John E. Straub J. Phys. Chem. B, 117, 7345–7351 (2013).

• “Benchmark Calculations of Proton Affinities and Gas Phase Basicities of Biomolecules” Adam Moser, Kevin Range, Darrin York, J. Phys. Chem. B, 114, 13911-13921 (2010).

• “Exocyclic deoxyadenosine adducts of 1,2,3,4-diepoxybutane:synthesis, structural characterization, and mechanistic studies” Uthpala Seneviratne, Sergey Antsypovich, Melissa Goggin, Danae Quirk Dorr, Rebecca Guza, Adam Moser, Carrie Thompson, Darrin M. York and Natalia Tretyakova., Chem. Res. Toxicol., 23(1), 118-133 (2010). (highlighted article)

• “Density functional study of the influence of C5 cytosine substitution in base pairs with guanine” Adam Moser, Becky Guza, Natalia Tretyakova, Darrin York. Theor. Chem. Acc., 122, 179-188 (2009).

• “Unraveling the mechanisms of ribozyme catalysis with multi-scale simulations” Tai-Sung Lee, George M. Giambasu, Adam Moser, Kwangho Nam, Carlos Silva-Lopez, Francesca Guerra, Olalla Nieto-Faza, Timothy J. Giese, Jiali Gao and Darrin M. York, in Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications, Darrin M. York and Tai-Sung Lee eds., Springer Verlag, New York, (2009).

• “Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers” Igor Vorobyov, Victor M. Anisimov, Shannon Greene, Richard M. Venable, Adam Moser, Richard W. Paster, Alexander D. MacKerell, Jr., J. Chem. Theory Comput., 3, 1120-1133, (2007).

• “CHARMM Force Field Parameters for Simulation of Reactive Intermediates in Native and Thio-Substituted Ribozymes” Evelyn Mayaan, Adam Moser, Alexander D. MacKerell, Jr., Darrin M. York, J. Comput. Chem., 28, 495-507, (2007).

• “QCRNA 1.0: A database of quantum calculations for RNA catalysis” Timothy J. Giese, Brent A. Gregersen, Yun Liu, Kwangho Nam, Evelyn Mayaan, Adam Moser, Kevin Range, Olalla Nieto Faza, Carlos Silva Lopez, Angel Rodriguez de Lera, Gijs Schaftenaar, Xabier Lopez, Tai-Sung Lee, George Karypis and Darrin M. York, J. Mol. Graph. Model., 25, 423-433, (2006).

• “Multi-level and density functional electronic structure calculations of proton affinities and gas-phase basicities involved in biological phosphoryl transfer” Kevin Range, Carlos Silva Lopez, Adam Moser, and Darrin M. York, J. Phys. Chem. A, 110, 791-797, (2006).