Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity von Yu, Wensheng, Liu, Jian, Clausen, Dane, Yu, Younong, Duffy, Joseph L, Wang, Ming, Xu, Shouning, Deng, Lin, Suzuki, Takao, Chung, Christine C, Myers, Robert W, Klein, Daniel J, Fells, James I, Holloway, M. Katharine, Wu, Jin, Wu, Guoxin, Howell, Bonnie J, Barnard, Richard J. O, Kozlowski, Joseph

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Identification of free fatty acid receptor 2 agonists using virtual screening von Fells, James I., Ai, Xi, Weinglass, Adam, Feng, Wen, Lei, Ying, Finley, Michael, Hoveyda, Hamid R., Fraser, Graeme L., Machacek, Michelle

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Dual Activity Lysophosphatidic Acid Receptor Pan-Antagonist/ Autotaxin Inhibitor Reduces Breast Cancer Cell Migration In vitro and Causes Tumor Regression In vivo von HONGLU ZHANG, XIAOYU XU, PRESTWICH, Glenn D, GAJEWIAK, Joanna, TSUKAHARA, Ryoko, FUJIWARA, Yuko, LIU, Jianxiong, FELLS, James I, PERYGIN, Donna, PARRILL, Abby L, TIGYI, Gabor

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Unique Ligand Selectivity of the GPR92/LPA5 Lysophosphatidate Receptor Indicates Role in Human Platelet Activation von Williams, Jesica R., Khandoga, Anna L., Goyal, Pankaj, Fells, James I., Perygin, Donna H., Siess, Wolfgang, Parrill, Abby L., Tigyi, Gabor, Fujiwara, Yuko

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Hits of a high-throughput screen identify the hydrophobic pocket of autotaxin/lysophospholipase D as an inhibitory surface von Fells, James I, Lee, Sue Chin, Fujiwara, Yuko, Norman, Derek D, Lim, Keng Gat, Tsukahara, Ryoko, Liu, Jianxiong, Patil, Renukadevi, Miller, Duane D, Kirby, R Jason, Nelson, Sandra, Seibel, William, Papoian, Ruben, Parrill, Abby L, Baker, Daniel L, Bittman, Robert, Tigyi, Gabor

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Informing the Selection of Screening Hit Series with in Silico Absorption, Distribution, Metabolism, Excretion, and Toxicity Profiles von Sanders, John M, Beshore, Douglas C, Culberson, J Christopher, Fells, James I, Imbriglio, Jason E, Gunaydin, Hakan, Haidle, Andrew M, Labroli, Marc, Mattioni, Brian E, Sciammetta, Nunzio, Shipe, William D, Sheridan, Robert P, Suen, Linda M, Verras, Andreas, Walji, Abbas, Joshi, Elizabeth M, Bueters, Tjerk

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Virtual screening for LPA2-specific agonists identifies a nonlipid compound with antiapoptotic actions von Kiss, Gyöngyi N, Fells, James I, Gupte, Renuka, Lee, Sue-Chin, Liu, Jianxiong, Nusser, Nóra, Lim, Keng G, Ray, Ramesh M, Lin, Fang-Tsyr, Parrill, Abby L, Sümegi, Balázs, Miller, Duane D, Tigyi, Gabor

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Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort von Gao, Ying-Duo, Hu, Yuan, Crespo, Alejandro, Wang, Deping, Armacost, Kira A., Fells, James I., Fradera, Xavier, Wang, Hongwu, Wang, Huijun, Sherborne, Brad, Verras, Andreas, Peng, Zhengwei

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Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016 von Fradera, Xavier, Verras, Andreas, Hu, Yuan, Wang, Deping, Wang, Hongwu, Fells, James I., Armacost, Kira A., Crespo, Alejandro, Sherborne, Brad, Wang, Huijun, Peng, Zhengwei, Gao, Ying-Duo

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Structural Determinants of the Transient Receptor Potential 1 (TRPV1) Channel Activation by Phospholipid Analogs von Morales-Lázaro, Sara L., Serrano-Flores, Barbara, Llorente, Itzel, Hernández-García, Enrique, González-Ramírez, Ricardo, Banerjee, Souvik, Miller, Duane, Gududuru, Veeresh, Fells, James, Norman, Derek, Tigyi, Gabor, Escalante-Alcalde, Diana, Rosenbaum, Tamara

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Subtype-specific Residues Involved in Ligand Activation of the Endothelial Differentiation Gene Family Lysophosphatidic Acid Receptors von Valentine, William J., Fells, James I., Perygin, Donna H., Mujahid, Sana, Yokoyama, Kazuaki, Fujiwara, Yuko, Tsukahara, Ryoko, Van Brocklyn, James R., Parrill, Abby L., Tigyi, Gabor

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Design and Synthesis of Sulfamoyl Benzoic Acid Analogues with Subnanomolar Agonist Activity Specific to the LPA2 Receptor von Patil, Renukadevi, Fells, James I, Szabó, Erzsébet, Lim, Keng G, Norman, Derek D, Balogh, Andrea, Patil, Shivaputra, Strobos, Jur, Miller, Duane D, Tigyi, Gábor J

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Informing the Selection of Screening Hit Series with in Silico Absorption, Distribution, Metabolism, Excretion, and Toxicity Profiles: Miniperspective von Sanders, John M, Beshore, Douglas C, Culberson, J. Christopher, Fells, James I, Imbriglio, Jason E, Gunaydin, Hakan, Haidle, Andrew M, Labroli, Marc, Mattioni, Brian E, Sciammetta, Nunzio, Shipe, William D, Sheridan, Robert P, Suen, Linda M, Verras, Andreas, Walji, Abbas, Joshi, Elizabeth M, Bueters, Tjerk

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Structure-based drug design identifies novel LPA3 antagonists von FELLS, James I, TSUKAHARA, Ryoko, JIANXIONG LIU, TIGYI, Gabor, PARRILL, Abby L

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Targeting the hydrophobic pocket of autotaxin with virtual screening of inhibitors identifies a common aromatic sulfonamide structural motif von Fells, James I., Lee, Sue Chin, Norman, Derek D., Tsukahara, Ryoko, Kirby, Jason R., Nelson, Sandra, Seibel, William, Papoian, Ruben, Patil, Renukadevi, Miller, Duane D., Parrill, Abby L., Pham, Truc‐Chi, Baker, Daniel L., Bittman, Robert, Tigyi, Gabor

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Mitigation of radiation injury by selective stimulation of the LPA2 receptor von Kiss, Gyöngyi N., Lee, Sue-Chin, Fells, James I., Liu, Jianxiong, Valentine, William J., Fujiwara, Yuko, Thompson, Karin Emmons, Yates, Charles R., Sümegi, Balázs, Tigyi, Gabor

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Identification of non-lipid LPA3 antagonists by virtual screening von FELLS, James I, TSUKAHARA, Ryoko, FUJIWARA, Yuko, JIANXIONG LIU, PERYGIN, Donna H, OSBORNE, Daniel A, TIGYI, Gabor, PARRILL, Abby L

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Molecular recognition in the sphingosine 1-phosphate receptor family von Pham, Truc-Chi T., Fells, James I., Osborne, Daniel A., North, E. Jeffrey, Naor, Mor M., Parrill, Abby L.

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2D binary QSAR modeling of LPA3 receptor antagonism von Fells, James I, Tsukahara, Ryoko, Liu, Jianxiong, Tigyi, Gabor, Parrill, Abby L

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Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation von Yu, Wensheng, Liu, Jian, Yu, Younong, Zhang, Vivian, Clausen, Dane, Kelly, Joseph, Wolkenberg, Scott, Beshore, Douglas, Duffy, Joseph L., Chung, Christine C., Myers, Robert W., Klein, Daniel J., Fells, James, Holloway, Kate, Wu, Jin, Wu, Guoxin, Howell, Bonnie J., Barnard, Richard J.O., Kozlowski, Joseph

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