Validation of Human MDR1-MDCK and BCRP-MDCK Cell Lines to Improve the Prediction of Brain Penetration von Feng, Bo, West, Mark, Patel, Nandini C., Wager, Travis, Hou, Xinjun, Johnson, Jillian, Tremaine, Larry, Liras, Jennifer

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Optimal designs for pairwise calculation: An application to free energy perturbation in minimizing prediction variability von Yang, Qingyi, Burchett, Woodrow, Steeno, Gregory S., Liu, Shuai, Yang, Mingjun, Mobley, David L., Hou, Xinjun

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Current Landscape of Phosphodiesterase 10A (PDE10A) Inhibition von Chappie, Thomas A, Helal, Christopher J, Hou, Xinjun

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Constant pH Molecular Dynamics Reveals pH-Modulated Binding of Two Small-Molecule BACE1 Inhibitors von Ellis, Christopher R, Tsai, Cheng-Chieh, Hou, Xinjun, Shen, Jana

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Defining Desirable Central Nervous System Drug Space through the Alignment of Molecular Properties, in Vitro ADME, and Safety Attributes von Wager, Travis T, Chandrasekaran, Ramalakshmi Y, Hou, Xinjun, Troutman, Matthew D, Verhoest, Patrick R, Villalobos, Anabella, Will, Yvonne

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Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs von Ferruz, Noelia, Doerr, Stefan, Vanase-Frawley, Michelle A., Zou, Yaozhong, Chen, Xiaomin, Marr, Eric S., Nelson, Robin T., Kormos, Bethany L., Wager, Travis T., Hou, Xinjun, Villalobos, Anabella, Sciabola, Simone, De Fabritiis, Gianni

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Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-... von VERHOEST, Patrick R, CHAPIN, Douglas S, PANDIT, Jayvardhan, PROULX-LAFRANCE, Caroline, SCHMIDT, Anne W, SCHMIDT, Christopher J, SUICIAK, Judith A, LIRAS, Spiros, CORMAN, Michael, FONSECA, Kari, HARMS, John F, XINJUN HOU, MARR, Eric S, MENNITI, Frank S, NELSON, Frederick, O'CONNOR, Rebecca

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Different mechanisms of X-ray irradiation-induced male and female sterility in Aedes aegypti von Zhang, Heng, Trueman, Emma, Hou, Xinjun, Chew, De Xian, Deng, Lu, Liew, Jonathan, Chia, Tania, Xi, Zhiyong, Tan, Cheong Huat, Cai, Yu

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Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy von Verhoest, Patrick R, Proulx-Lafrance, Caroline, Corman, Michael, Chenard, Lois, Helal, Christopher J, Hou, Xinjun, Kleiman, Robin, Liu, Shenping, Marr, Eric, Menniti, Frank S, Schmidt, Christopher J, Vanase-Frawley, Michelle, Schmidt, Anne W, Williams, Robert D, Nelson, Frederick R, Fonseca, Kari R, Liras, Spiros

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Attenuation of neurovirulence of chikungunya virus by a single amino acid mutation in viral E2 envelope protein von Chen, Huixin, Phuektes, Patchara, Yeo, Li Sze, Wong, Yi Hao, Lee, Regina Ching Hua, Yi, Bowen, Hou, Xinjun, Liu, Sen, Cai, Yu, Chu, Justin Jang Hann

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Chemoproteomic profiling reveals that cathepsin D off-target activity drives ocular toxicity of β-secretase inhibitors von Zuhl, Andrea M., Nolan, Charles E., Brodney, Michael A., Niessen, Sherry, Atchison, Kevin, Houle, Christopher, Karanian, David A., Ambroise, Claude, Brulet, Jeffrey W., Beck, Elizabeth M., Doran, Shawn D., O’Neill, Brian T., am Ende, Christopher W., Chang, Cheng, Geoghegan, Kieran F., West, Graham M., Judkins, Joshua C., Hou, Xinjun, Riddell, David R., Johnson, Douglas S.

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Hierarchical Lamellar Aluminophosphate Inorganic Materials for Medium Density Fiberboard with Good Fire Performance von Wu, Zhenzeng, Chen, Tingjie, Aladejana, John Tosin, Kouomo Guelifack, Yves, Li, Dehong, Hou, Xinjun, Wang, Xiaodong(Alice), Niu, Min, Xie, Yongqun

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Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket von Guo, Chuangxing, Hou, Xinjun, Dong, Liming, Marakovits, Joseph, Greasley, Samantha, Dagostino, Eleanor, Ferre, RoseAnn, Catherine Johnson, M., Humphries, Paul S., Li, Haitao, Paderes, Genevieve D., Piraino, Joseph, Kraynov, Eugenia, Murray, Brion W.

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Structure-based design of novel human Pin1 inhibitors (I) von Guo, Chuangxing, Hou, Xinjun, Dong, Liming, Dagostino, Eleanor, Greasley, Samantha, Ferre, RoseAnn, Marakovits, Joseph, Johnson, M. Catherine, Matthews, David, Mroczkowski, Barbara, Parge, Hans, VanArsdale, Todd, Popoff, Ian, Piraino, Joseph, Margosiak, Stephen, Thomson, James, Los, Gerrit, Murray, Brion W.

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Structure-based design of novel human Pin1 inhibitors (II) von Dong, Liming, Marakovits, Joseph, Hou, Xinjun, Guo, Chuangxing, Greasley, Samantha, Dagostino, Eleanor, Ferre, RoseAnn, Johnson, M. Catherine, Kraynov, Eugenia, Thomson, James, Pathak, Ved, Murray, Brion W.

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Author Correction: Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs von Ferruz, Noelia, Doerr, Stefan, Vanase-Frawley, Michelle A., Zou, Yaozhong, Chen, Xiaomin, Marr, Eric S., Nelson, Robin T., Kormos, Bethany L., Wager, Travis T., Hou, Xinjun, Villalobos, Anabella, Sciabola, Simone, De Fabritiis, Gianni

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The Discovery and Characterization of the α‑Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Potentiator N‑{(3S,4S)‑4-[4-(5-Cyano-2-thienyl)phenoxy]tetrahydrofura... von Shaffer, Christopher L, Patel, Nandini C, Schwarz, Jacob, Scialis, Renato J, Wei, Yunjing, Hou, Xinjun J, Xie, Longfei, Karki, Kapil, Bryce, Dianne K, Osgood, Sarah M, Hoffmann, William E, Lazzaro, John T, Chang, Cheng, McGinnis, Dina F, Lotarski, Susan M, Liu, JianHua, Obach, R. Scott, Weber, Mark L, Chen, Laigao, Zasadny, Kenneth R, Seymour, Patricia A, Schmidt, Christopher J, Hajós, Mihály, Hurst, Raymond S, Pandit, Jayvardhan, O’Donnell, Christopher J

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Discovery and Characterization of a Novel Dihydroisoxazole Class of α‑Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators von Patel, Nandini C, Schwarz, Jacob, Hou, Xinjun J, Hoover, Dennis J, Xie, Longfei, Fliri, Anton J, Gallaschun, Randall J, Lazzaro, John T, Bryce, Dianne K, Hoffmann, William E, Hanks, Ashley N, McGinnis, Dina, Marr, Eric S, Gazard, Justin L, Hajós, Mihály, Scialis, Renato J, Hurst, Raymond S, Shaffer, Christopher L, Pandit, Jayvardhan, O’Donnell, Christopher J

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Parallel RSA encryption algorithm based on a ternary optical computer von Song, Kai, Hu, Huanyu, Yan, Liping, Hou, Xinjun, Wei, Jingyang

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Adaptive region algorithm based on a ternary optical computer von Song, Kai, Hou, Xinjun, Hu, Huanyu, Wei, Jingyang, Yan, Liping

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