Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site von Fang, Zhenhao, Marshall, Christopher B., Nishikawa, Tadateru, Gossert, Alvar D., Jansen, Johanna M., Jahnke, Wolfgang, Ikura, Mitsuhiko

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Design and Discovery of N‑(2-Methyl-5′-morpholino-6′-((tetrahydro‑2H‑pyran-4-yl)oxy)-[3,3′-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficaci... von Nishiguchi, Gisele A, Rico, Alice, Tanner, Huw, Aversa, Robert J, Taft, Benjamin R, Subramanian, Sharadha, Setti, Lina, Burger, Matthew T, Wan, Lifeng, Tamez, Victoriano, Smith, Aaron, Lou, Yan, Barsanti, Paul A, Appleton, Brent A, Mamo, Mulugeta, Tandeske, Laura, Dix, Ina, Tellew, John E, Huang, Shenlin, Mathews Griner, Lesley A, Cooke, Vesselina G, Van Abbema, Anne, Merritt, Hanne, Ma, Sylvia, Gampa, Kalyani, Feng, Fei, Yuan, Jing, Wang, Yingyun, Haling, Jacob R, Vaziri, Sepideh, Hekmat-Nejad, Mohammad, Jansen, Johanna M, Polyakov, Valery, Zang, Richard, Sethuraman, Vijay, Amiri, Payman, Singh, Mallika, Lees, Emma, Shao, Wenlin, Stuart, Darrin D, Dillon, Michael P, Ramurthy, Savithri

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Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Syntha... von Wagman, Allan S, Boyce, Rustum S, Brown, Sean P, Fang, Eric, Goff, Dane, Jansen, Johanna M, Le, Vincent P, Levine, Barry H, Ng, Simon C, Ni, Zhi-Jie, Nuss, John M, Pfister, Keith B, Ramurthy, Savithri, Renhowe, Paul A, Ring, David B, Shu, Wei, Subramanian, Sharadha, Zhou, Xiaohui A, Shafer, Cynthia M, Harrison, Stephen D, Johnson, Kirk W, Bussiere, Dirksen E

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Inhibition of prenylated KRAS in a lipid environment von Jansen, Johanna M, Wartchow, Charles, Jahnke, Wolfgang, Fong, Susan, Tsang, Tiffany, Pfister, Keith, Zavorotinskaya, Tatiana, Bussiere, Dirksen, Cheng, Jan Marie, Crawford, Kenneth, Dai, Yumin, Dove, Jeffrey, Fang, Eric, Feng, Yun, Florent, Jean-Michel, Fuller, John, Gossert, Alvar D, Hekmat-Nejad, Mohammad, Henry, Chrystèle, Klopp, Julia, Lenahan, William P, Lingel, Andreas, Ma, Sylvia, Meyer, Arndt, Mishina, Yuji, Narberes, Jamie, Pardee, Gwynn, Ramurthy, Savithri, Rieffel, Sebastien, Stuart, Darrin, Subramanian, Sharadha, Tandeske, Laura, Widger, Stephania, Widmer, Armin, Winterhalter, Aurelie, Zaror, Isabel, Hardy, Stephen

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Rethinking drug design in the artificial intelligence era von Schneider, Petra, Walters, W. Patrick, Plowright, Alleyn T., Sieroka, Norman, Listgarten, Jennifer, Goodnow, Robert A., Fisher, Jasmin, Jansen, Johanna M., Duca, José S., Rush, Thomas S., Zentgraf, Matthias, Hill, John Edward, Krutoholow, Elizabeth, Kohler, Matthias, Blaney, Jeff, Funatsu, Kimito, Luebkemann, Chris, Schneider, Gisbert

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High-Throughput Screen for Inhibitors of Klebsiella pneumoniae Virulence Using a Tetrahymena pyriformis Co-Culture Surrogate Host Model von Woods, Angela L, Parker, David, Glick, Meir M, Peng, Yunshan, Lenoir, Francois, Mulligan, Evan, Yu, Vincent, Piizzi, Grazia, Lister, Troy, Lilly, Maria-Dawn, Dzink-Fox, JoAnn, Jansen, Johanna M, Ryder, Neil S, Dean, Charles R, Smith, Thomas M

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Biased Diversity for Effective Virtual Screening von Martin, Eric J, Jansen, Johanna M

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D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies von Parks, Conor D., Gaieb, Zied, Chiu, Michael, Yang, Huanwang, Shao, Chenghua, Walters, W. Patrick, Jansen, Johanna M., McGaughey, Georgia, Lewis, Richard A., Bembenek, Scott D., Ameriks, Michael K., Mirzadegan, Tara, Burley, Stephen K., Amaro, Rommie E., Gilson, Michael K.

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Biased Complement Diversity Selection for Effective Exploration of Chemical Space in Hit-Finding Campaigns von Jansen, Johanna M, De Pascale, Gianfranco, Fong, Susan, Lindvall, Mika, Moser, Heinz E, Pfister, Keith, Warne, Bob, Wartchow, Charles

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Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria [version 2; peer review: 3 approved] von Riniker, Sereina, Landrum, Gregory A, Montanari, Floriane, Villalba, Santiago D, Maier, Julie, Jansen, Johanna M, Walters, W. Patrick, Shelat, Anang A

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Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria [version 1; peer review: 3 approved] von Riniker, Sereina, Landrum, Gregory A, Montanari, Floriane, Villalba, Santiago D, Maier, Julie, Jansen, Johanna M, Walters, W. Patrick, Shelat, Anang A

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Challenges of antibacterial drug discovery von Reck, Folkert, Jansen, Johanna M., Moser, Heinz E.

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Design, Structure−Activity Relationships and in Vivo Characterization of 4-Amino-3-benzimidazol-2-ylhydroquinolin-2-ones: A Novel Class of Receptor Tyrosine Kinase Inhibitors von Renhowe, Paul A, Pecchi, Sabina, Shafer, Cynthia M, Machajewski, Timothy D, Jazan, Elisa M, Taylor, Clarke, Antonios-McCrea, William, McBride, Christopher M, Frazier, Kelly, Wiesmann, Marion, Lapointe, Gena R, Feucht, Paul H, Warne, Robert L, Heise, Carla C, Menezes, Daniel, Aardalen, Kimberly, Ye, Helen, He, Molly, Le, Vincent, Vora, Jayesh, Jansen, Johanna M, Wernette-Hammond, Mary Ellen, Harris, Alex L

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Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors von Smith, Aaron, Ni, Zhi-Jie, Poon, Daniel, Huang, Zilin, Chen, Zheng, Zhang, Qiong, Tandeske, Laura, Merritt, Hanne, Shoemaker, Kevin, Chan, John, Kaufman, Susan, Huh, Kay, Murray, Jeremy, Appleton, Brent A., Cowan-Jacob, Sandra W., Scheufler, Clemens, Kanazawa, Takanori, Jansen, Johanna M., Stuart, Darrin, Shafer, Cynthia M.

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A Unified and Quantitative Receptor Model for the Microtubule Binding of Paclitaxel and Epothilone von Wang, Minmin, Xia, Xiaoyang, Kim, Yohan, Hwang, David, Jansen, Johanna M, Botta, Maurizio, Liotta, Dennis C, Snyder, James P

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Design and Synthesis of Orally Bioavailable Benzimidazoles as Raf Kinase Inhibitors von Ramurthy, Savithri, Subramanian, Sharadha, Aikawa, Mina, Amiri, Payman, Costales, Abran, Dove, Jeff, Fong, Susan, Jansen, Johanna M, Levine, Barry, Ma, Sylvia, McBride, Christopher M, Michaelian, Jonah, Pick, Teresa, Poon, Daniel J, Girish, Sandhya, Shafer, Cynthia M, Stuart, Darrin, Sung, Leonard, Renhowe, Paul A

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Size Matters and How You Measure It: A Gram-Negative Antibacterial Example Exceeding Typical Molecular Weight Limits von Ruggiu, Fiorella, Yang, Shengtian, Simmons, Robert L, Casarez, Anthony, Jones, Adriana K, Li, Cindy, Jansen, Johanna M, Moser, Heinz E, Dean, Charles R, Reck, Folkert, Lindvall, Mika

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Design and synthesis of 6,6-fused heterocyclic amides as raf kinase inhibitors von Ramurthy, Savithri, Costales, Abran, Jansen, Johanna M., Levine, Barry, Renhowe, Paul A., Shafer, Cynthia M., Subramanian, Sharadha

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Teach–Discover–Treat (TDT): Collaborative computational drug discovery for neglected diseases von Jansen, Johanna M., Cornell, Wendy, Tseng, Y. Jane, Amaro, Rommie E.

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Design and synthesis of 5,6-fused heterocyclic amides as Raf kinase inhibitors von Ramurthy, Savithri, Aikawa, Mina, Amiri, Payman, Costales, Abran, Hashash, Ahmad, Jansen, Johanna M., Lin, Song, Ma, Sylvia, Renhowe, Paul A., Shafer, Cynthia M., Subramanian, Sharadha, Sung, Leonard, Verhagen, Joelle

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