Key Residues Controlling Binding of Diverse Ligands to Human Cytochrome P450 2A Enzymes von DeVore, N.M., Smith, B.D., Wang, J.L., Lushington, G.H., Scott, E.E.

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Novel splice isoforms for NLGN3 and NLGN4 with possible implications in autism von Talebizadeh, Z, Lam, D Y, Theodoro, M F, Bittel, D C, Lushington, G H, Butler, M G

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Orientational Dynamics and Dye-DNA Interactions in a Dye-Labeled DNA Aptamer von Unruh, Jay R., Gokulrangan, Giridharan, Lushington, G.H., Johnson, Carey K., Wilson, George S.

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Differential Inhibition of Adenylyl Cyclase Isoforms and Soluble Guanylyl Cyclase by Purine and Pyrimidine Nucleotides von Gille, Andreas, Lushington, Gerald H, Mou, Tung-Chung, Doughty, Michael B, Johnson, Roger A, Seifert, Roland

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Ab Initio and Density Functional Study of the Electronic Transitions of Indoline and Indoline-2-Carboxylic Acid von Slaughter, Brian D, Allen, Michael W, Lushington, G. H, Johnson, Carey K

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A Docking Score Function for Estimating Ligand−Protein Interactions:  Application to Acetylcholinesterase Inhibition von Guo, Jianxin, Hurley, Margaret M, Wright, Jeffery B, Lushington, Gerald H

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Mechanistic Insight into Acetylcholinesterase Inhibition and Acute Toxicity of Organophosphorus Compounds:  A Molecular Modeling Study von Guo, Jian-Xin, Wu, Jay J.-Q, Wright, Jeffery B, Lushington, Gerald H

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Ab initio study of molecular g-tensors von Lushington, G. H., Bündgen, P., Grein, F.

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Discovery and Structural Modification of Inhibitors of Methionine Aminopeptidases from Escherichia coli and Saccharomyces cerevisiae von LUO, Qun-Li, LI, Jing-Ya, LIU, Zhi-Ying, CHEN, Ling-Ling, LI, Jia, QIAN, Zhen, SHEN, Qiang, LI, Yu, LUSHINGTON, Gerald H., YE, Qi-Zhuang, NAN, Fa-Jun

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Multireference configuration interaction calculations of electronic g -tensors for NO2, H2O+, and CO von Lushington, G. H., Grein, F.

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Support Vector Machines in HTS Data Mining: Type I MetAPs Inhibition Study von Fang, Jianwen, Dong, Yinghua, Lushington, Gerald H., Ye, Qi-Zhuang, Georg, Gunda I.

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Quantum mechanics and mixed quantum mechanics/molecular mechanics simulations of model nerve agents with acetylcholinesterase von Wright, J.B., Lushington, G.H., White, W.E., Hurley, M.M.

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Utilization of Hydrogen Bonds To Stabilize M−O(H) Units:  Synthesis and Properties of Monomeric Iron and Manganese Complexes with Terminal Oxo and Hydroxo Ligands von MacBeth, Cora E, Gupta, Rajeev, Mitchell-Koch, Katie R, Young, Victor G, Lushington, Gerald H, Thompson, Ward H, Hendrich, Michael P, Borovik, A. S

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The electronic g-tensor of MgF: A comparison of ROHF and MRDCI level results von Lushington, G. H., Grein, F.

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The paclitaxel site in tubulin probed by site-directed mutagenesis of Saccharomyces cerevisiae b-tubulin von Entwistle, R A, Winefield, R D, Foland, T B, Lushington, G H, Himes, R H

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How the mutation glycine96 to alanine confers glyphosate insensitivity to 5-enolpyruvyl shikimate-3-phosphate synthase from Escherichia coli von Eschenburg, Susanne, Healy, Martha L., Priestman, Melanie A., Lushington, Gerald H., Schönbrunn, Ernst

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Interaction of Phosphonate Analogues of the Tetrahedral Reaction Intermediate with 5-Enolpyruvylshikimate-3-phosphate Synthase in Atomic Detail von Priestman, Melanie A, Healy, Martha L, Becker, Andreas, Alberg, David G, Bartlett, Paul A, Lushington, Gerald H, Schönbrunn, Ernst

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Complete to second-orderab initio level calculations of electronicg-tensors von Lushington, G. H., Grein, F.

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Discover protein sequence signatures from protein-protein interaction data von Fang, Jianwen, Haasl, Ryan J, Dong, Yinghua, Lushington, Gerald H

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The 2,6-Diisocyanoazulene Motif:  Synthesis and Efficient Mono- and Heterobimetallic Complexation with Controlled Orientation of the Azulenic Dipole von Holovics, Thomas C, Robinson, Randall E, Weintrob, Edward C, Toriyama, Masaharu, Lushington, Gerald H, Barybin, Mikhail V

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