Molecular determinants of ASIC1 modulation by divalent cations von Liu, Yi, Ma, Jichun, DesJarlais, Renee L., Hagan, Rebecca, Rech, Jason, Liu, Changlu, Miller, Robyn, Schoellerman, Jeffrey, Luo, Jinquan, Letavic, Michael, Grasberger, Bruce, Maher, Michael P.

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Design, synthesis and structure activity relationships of indazole and indole derivatives as potent glucagon receptor antagonists von Song, Fengbin, Xu, Guozhang, Gaul, Michael D., Zhao, Baoping, Lu, Tianbao, Zhang, Rui, DesJarlais, Renee L., DiLoreto, Karen, Huebert, Norman, Shook, Brian, Rentzeperis, Dennis, Santulli, Rosie, Eckardt, Annette, Demarest, Keith

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Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1 von Liu, Yi, Ma, Jichun, DesJarlais, Renee L., Hagan, Rebecca, Rech, Jason, Lin, David, Liu, Changlu, Miller, Robyn, Schoellerman, Jeffrey, Luo, Jinquan, Letavic, Michael, Grasberger, Bruce, Maher, Michael

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Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis von Struble, Thomas J, Alvarez, Juan C, Brown, Scott P, Chytil, Milan, Cisar, Justin, DesJarlais, Renee L, Engkvist, Ola, Frank, Scott A, Greve, Daniel R, Griffin, Daniel J, Hou, Xinjun, Johannes, Jeffrey W, Kreatsoulas, Constantine, Lahue, Brian, Mathea, Miriam, Mogk, Georg, Nicolaou, Christos A, Palmer, Andrew D, Price, Daniel J, Robinson, Richard I, Salentin, Sebastian, Xing, Li, Jaakkola, Tommi, Green, William. H, Barzilay, Regina, Coley, Connor W, Jensen, Klavs F

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Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase von Ohadi, Donya, Kumar, Kiran, Ravula, Suchitra, DesJarlais, Renee L, Seierstad, Mark J, Shih, Amy Y, Hack, Michael D, Schiffer, Jamie M

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Tandem Suzuki Coupling/Intramolecular Oxetane Ring Opening to Form Polycyclic Ring Systems von DeRatt, Lindsey G, Lawson, Edward C, Kumar, Kiran, Hwang, Soyon S, DesJarlais, Renee L, Kuduk, Scott D

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Development and implementation of an enterprise-wide predictive model for early absorption, distribution, metabolism and excretion properties von Kumar, Kiran, Chupakhin, Vladimir, Vos, Ann, Morrison, Denise, Rassokhin, Dmitrii, Dellwo, Martin J., McCormick, Keith, Paternoster, Eric, Ceulemans, Hugo, DesJarlais, Renee L.

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Computational chemistry at Janssen von van Vlijmen, Herman, Desjarlais, Renee L., Mirzadegan, Tara

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Discovery of Potent and Orally Bioavailable Pyridine N‑Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions von Xu, Guozhang, Liu, Zhijie, Wang, Xinkang, Lu, Tianbao, DesJarlais, Renee L., Thieu, Tho, Zhang, Jing, Devine, Zheng Huang, Du, Fuyong, Li, Qiu, Milligan, Cynthia M., Shaffer, Paul, Cedervall, Peder E., Spurlino, John C., Stratton, Christopher F., Pietrak, Beth, Szewczuk, Lawrence M., Wong, Victoria, Steele, Ruth A., Bruinzeel, Wouter, Chintala, Madhu, Silva, Jose, Gaul, Michael D., Macielag, Mark J., Nargund, Ravi

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Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery von Damm-Ganamet, Kelly L., DesJarlais, Renee L., Marrone, Tami, Shih, Amy Y., Schiffer, Jamie M., Perez-Benito, Laura, Mirzadegan, Taraneh

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Design and synthesis of a pyrido[2,3- d]pyrimidin-5-one class of anti-inflammatory FMS inhibitors von Huang, Hui, Hutta, Daniel A., Hu, Huaping, DesJarlais, Renee L., Schubert, Carsten, Petrounia, Ioanna P., Chaikin, Margery A., Manthey, Carl L., Player, Mark R.

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Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery: Miniperspective von Damm-Ganamet, Kelly L, DesJarlais, Renee L, Marrone, Tami, Shih, Amy Y, Schiffer, Jamie M, Perez-Benito, Laura, Mirzadegan, Taraneh

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6‑Benzhydryl-4-amino-quinolin-2-ones as Potent Cannabinoid Type 1 (CB1) Receptor Inverse Agonists and Chemical Modifications for Peripheral Selectivity von Zhang, Yue-Mei, Greco, Michael N, Macielag, Mark J, Teleha, Christopher A, DesJarlais, Renee L, Tang, Yuting, Ho, George, Hou, Cuifen, Chen, Cailin, Zhao, Shuyuan, Kauffman, Jack, Camacho, Raul, Qi, Jenson, Murray, William, Demarest, Keith, Leonard, James

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Using Computational Techniques in Fragment-Based Drug Discovery von DesJarlais, Renee L.

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Collaborating to improve the use of free-energy and other quantitative methods in drug discovery von Sherborne, Bradley, Shanmugasundaram, Veerabahu, Cheng, Alan C., Christ, Clara D., DesJarlais, Renee L., Duca, Jose S., Lewis, Richard A., Loughney, Deborah A., Manas, Eric S., McGaughey, Georgia B., Peishoff, Catherine E., van Vlijmen, Herman

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Discovery of potent and orally bioavailable indazole-based glucagon receptor antagonists for the treatment of type 2 diabetes von Xu, Guozhang, Gaul, Michael D., Song, Fengbin, Du, Fuyong, Liang, Yin, DesJarlais, Renee L., DiLoreto, Karen, Shook, Brian, Rentzeperis, Dennis, Santulli, Rosie, Eckardt, Annette, Demarest, Keith

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Hit-to-lead optimization and discovery of a potent, and orally bioavailable G protein coupled receptor kinase 2 (GRK2) inhibitor von Xu, Guozhang, Gaul, Michael D., Liu, Zhijie, DesJarlais, Renee L., Qi, Jenson, Wang, Weixue, Krosky, Daniel, Petrounia, Ioanna, Milligan, Cynthia M., Hermans, An, Lu, Hua-Rong, Huang, Devine Zheng, Xu, June Zhi, Spurlino, John C.

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Comparison of Automated Docking Programs as Virtual Screening Tools von Cummings, Maxwell D, DesJarlais, Renee L, Gibbs, Alan C, Mohan, Venkatraman, Jaeger, Edward P

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Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 Å resolution von Schalk‐Hihi, Céline, Schubert, Carsten, Alexander, Richard, Bayoumy, Shariff, Clemente, Jose C., Deckman, Ingrid, DesJarlais, Renee L., Dzordzorme, Keli C., Flores, Christopher M., Grasberger, Bruce, Kranz, James K., Lewandowski, Frank, Liu, Li, Ma, Hongchang, Maguire, Diane, Macielag, Mark J., McDonnell, Mark E., Mezzasalma Haarlander, Tara, Miller, Robyn, Milligan, Cindy, Reynolds, Charles, Kuo, Lawrence C.

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Novel Reagent Space: Identifying Unorderable but Readily Synthesizable Building Blocks von Seierstad, Mark, Tichenor, Mark S, DesJarlais, Renee L, Na, Jim, Bacani, Genesis M, Chung, De Michael, Mercado-Marin, Eduardo V, Steffens, Helena C, Mirzadegan, Taraneh

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