Discovery of Novel Chemotypes to a G-Protein-Coupled Receptor through Ligand-Steered Homology Modeling and Structure-Based Virtual Screening von Cavasotto, Claudio N, Orry, Andrew J. W, Murgolo, Nicholas J, Czarniecki, Michael F, Kocsi, Sue Ann, Hawes, Brian E, O’Neill, Kim A, Hine, Heather, Burton, Marybeth S, Voigt, Johannes H, Abagyan, Ruben A, Bayne, Marvin L, Monsma, Frederick J

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eCounterscreening: Using QSAR Predictions to Prioritize Testing for Off-Target Activities and Setting the Balance between Benefit and Risk von Sheridan, Robert P, McMasters, Daniel R, Voigt, Johannes H, Wildey, Mary Jo

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Comparison of Random Forest and Pipeline Pilot Naive Bayes in Prospective QSAR Predictions von BIN CHEN, SHERIDAN, Robert P, HORNAK, Viktor, VOIGT, Johannes H

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Discovery of the 3‑Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)–A β‑Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzhe... von Scott, Jack D, Li, Sarah W, Brunskill, Andrew P. J, Chen, Xia, Cox, Kathleen, Cumming, Jared N, Forman, Mark, Gilbert, Eric J, Hodgson, Robert A, Hyde, Lynn A, Jiang, Qin, Iserloh, Ulrich, Kazakevich, Irina, Kuvelkar, Reshma, Mei, Hong, Meredith, John, Misiaszek, Jeffrey, Orth, Peter, Rossiter, Lana M, Slater, Meagan, Stone, Julie, Strickland, Corey O, Voigt, Johannes H, Wang, Ganfeng, Wang, Hongwu, Wu, Yusheng, Greenlee, William J, Parker, Eric M, Kennedy, Matthew E, Stamford, Andrew W

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Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel μM Leads for the Development of nM... von Wang, Yu-Sen, Strickland, Corey, Voigt, Johannes H, Kennedy, Matthew E, Beyer, Brian M, Senior, Mary M, Smith, Elizabeth M, Nechuta, Terry L, Madison, Vincent S, Czarniecki, Michael, McKittrick, Brian A, Stamford, Andrew W, Parker, Eric M, Hunter, John C, Greenlee, William J, Wyss, Daniel F

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Potent Inhibition of Grb2 SH2 Domain Binding by Non-Phosphate-Containing Ligands von Yao, Zhu-Jun, King, C. Richter, Cao, Tin, Kelley, James, Milne, George W. A, Voigt, Johannes H, Burke, Terrence R

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Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS Aβ Reduction von Stamford, Andrew W, Scott, Jack D, Li, Sarah W, Babu, Suresh, Tadesse, Dawit, Hunter, Rachael, Wu, Yusheng, Misiaszek, Jeffrey, Cumming, Jared N, Gilbert, Eric J, Huang, Chunli, McKittrick, Brian A, Hong, Liwu, Guo, Tao, Zhu, Zhaoning, Strickland, Corey, Orth, Peter, Voigt, Johannes H, Kennedy, Matthew E, Chen, Xia, Kuvelkar, Reshma, Hodgson, Robert, Hyde, Lynn A, Cox, Kathleen, Favreau, Leonard, Parker, Eric M, Greenlee, William J

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Inhibition of Grb2 SH2 Domain Binding by Non-Phosphate-Containing Ligands. 2. 4-(2-Malonyl)phenylalanine as a Potent Phosphotyrosyl Mimetic von Gao, Yang, Luo, Juliet, Yao, Zhu-Jun, Guo, Ribo, Zou, Hong, Kelley, James, Voigt, Johannes H, Yang, Dajun, Burke, Terrence R

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Enhanced CACTVS Browser of the Open NCI Database von Ihlenfeldt, Wolf-Dietrich, Voigt, Johannes H, Bienfait, Bruno, Oellien, Frank, Nicklaus, Marc C

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Identification of inhibitors to papillomavirus type 16 E6 protein based on three-dimensional structures of interacting proteins von Baleja, James D., Cherry, Jonathan J., Liu, Zhiguo, Gao, Hua, Nicklaus, Marc C., Voigt, Johannes H., Chen, Jason J., Androphy, Elliot J.

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Cross-Docking of Inhibitors into CDK2 Structures. 1 von Duca, José S, Madison, Vincent S, Voigt, Johannes H

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PROSIT:  Pseudo-Rotational Online Service and Interactive Tool, Applied to a Conformational Survey of Nucleosides and Nucleotides von Sun, Guangyu, Voigt, Johannes H, Filippov, Igor V, Marquez, Victor E, Nicklaus, Marc C

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Cross-Docking of Inhibitors into CDK2 Structures. 2 von Voigt, Johannes H, Elkin, Carl, Madison, Vincent S, Duca, José S

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Metal-Dependent Inhibition of HIV-1 Integrase von Neamati, Nouri, Lin, Zhaiwei, Karki, Rajeshri G, Orr, Ann, Cowansage, Kiriana, Strumberg, Dirk, Pais, Godwin C. G, Voigt, Johannes H, Nicklaus, Marc C, Winslow, Heather E, Zhao, He, Turpin, Jim A, Yi, Jizu, Skalka, Anna Marie, Burke, Terrence R, Pommier, Yves

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Comparison of the NCI Open Database with Seven Large Chemical Structural Databases von Voigt, Johannes H, Bienfait, Bruno, Wang, Shaomeng, Nicklaus, Marc C

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2,6-Disubstituted N-arylsulfonyl piperidines as γ-secretase inhibitors von Pissarnitski, Dmitri A., Asberom, Theodros, Bara, Thomas A., Buevich, Alex V., Clader, John W., Greenlee, William J., Guzik, Henry S., Josien, Hubert B., Li, Wei, McEwan, Michael, McKittrick, Brian A., Nechuta, Terry L., Parker, Eric M., Sinning, Lisa, Smith, Elizabeth M., Song, Lixin, Vaccaro, Henry A., Voigt, Johannes H., Zhang, Lili, Zhang, Qi, Zhao, Zhiqiang

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Acylsulfonamide-containing PTP1B inhibitors designed to mimic an enzyme-bound water of hydration von Liu, Ding-Guo, Gao, Yang, Voigt, Johannes H., Lee, Kyeong, Nicklaus, Marc C., Wu, Li, Zhang, Zhong-Yin, Burke, Terrence R.

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Enantioselective synthesis of nonphosphorus-containing phosphotyrosyl mimetics and their use in the preparation of tyrosine phosphatase inhibitory peptides von Burke, Terrence R, Yao, Zhu-Jun, Zhao, He, Milne, George W.A, Wu, Li, Zhang, Zhong-Yin, Voigt, Johannes H

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Monocarboxylic-based phosphotyrosyl mimetics in the design of GRB2 SH2 domain inhibitors von Burke, Terrence R, Luo, Juliet, Yao, Zhu-Jun, Gao, Yang, Zhao, He, Milne, George W.A, Guo, Ribo, Voigt, Johannes H, Richter King, C, Yang, Dajun

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Synthesis of Fmoc-protected 4-carboxydifluoromethyl-L-phenylalanine: A phosphotyrosyl mimetic of potential use for signal transduction studies von Yao, Zhu-Jun, Gao, Yang, Voigt, Johannes H, Ford, Harry, Burke, Terrence R

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