Automated Generation of Novel Fragments Using Screening Data, a Dual SMILES Autoencoder, Transfer Learning and Syntax Correction von Bilsland, Alan E, McAulay, Kirsten, West, Ryan, Pugliese, Angelo, Bower, Justin

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Raf and MEK Protein Kinases Are Direct Molecular Targets for the Chemopreventive Effect of Quercetin, a Major Flavonol in Red Wine von KI WON LEE, NAM JOO KANG, HEO, Yong-Seok, ROGOZIN, Evgeny A, PUGLIESE, Angelo, MUN KYUNG HWANG, BOWDEN, G. Tim, BODE, Ann M, HYONG JOO LEE, ZIGANG DONG

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[6]-Gingerol Suppresses Colon Cancer Growth by Targeting Leukotriene A4 Hydrolase von JEONG, Chul-Ho, BODE, Ann M, PUGLIESE, Angelo, ECHO, Yong-Yeon, KIM, Hong-Gyum, SHIM, Jung-Hyun, JEON, Young-Jin, HONGLIN LI, HUALIANG JANG, ZIGANG DONG

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Resveratrol, a Red Wine Polyphenol, Suppresses Pancreatic Cancer by Inhibiting Leukotriene A4 Hydrolase von NAOMI OI, JEONG, Chul-Ho, NADAS, Janos, CHO, Yong-Yeon, PUGLIESE, Angelo, BODE, Ann M, ZIGANG DONG

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(-)-Epigallocatechin Gallate Regulates CD3-mediated T Cell Receptor Signaling in Leukemia through the Inhibition of ZAP-70 Kinase von Shim, Jung-Hyun, Choi, Hong Seok, Pugliese, Angelo, Lee, Sung-Young, Chae, Jung-Il, Choi, Bu Young, Bode, Ann M., Dong, Zigang

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A Regulatory Mechanism for RSK2 NH2-Terminal Kinase Activity von CHO, Yong-Yeon, KE YAO, PUGLIESE, Angelo, MALAKHOVA, Margarita L, BODE, Ann M, ZIGANG DONG

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Identification of a Selective G1-Phase Benzimidazolone Inhibitor by a Senescence-Targeted Virtual Screen Using Artificial Neural Networks von Bilsland, Alan E, Pugliese, Angelo, Liu, Yu, Revie, John, Burns, Sharon, McCormick, Carol, Cairney, Claire J, Bower, Justin, Drysdale, Martin, Narita, Masashi, Sadaie, Mahito, Keith, W. Nicol

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Anti-cancer gallotannin penta- O-galloyl-beta- d-glucose is a nanomolar inhibitor of select mammalian DNA polymerases von Mizushina, Yoshiyuki, Zhang, Jinhui, Pugliese, Angelo, Kim, Sung-Hoon, Lü, Junxuan

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Cyclin-Dependent Kinase-3-Mediated c-Jun Phosphorylation at Ser63 and Ser73 Enhances Cell Transformation von CHO, Yong-Yeon, FAQING TANG, KE YAO, CHENGRONG LU, FENG ZHU, DUO ZHENG, PUGLIESE, Angelo, BODE, Ann M, ZIGANG DONG

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Implementation of an AI-assisted fragment-generator in an open-source platform von Bilsland, Alan E, Pugliese, Angelo, Bower, Justin

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Fragment-based hit identification: thinking in 3D von Morley, Andrew D., Pugliese, Angelo, Birchall, Kristian, Bower, Justin, Brennan, Paul, Brown, Nathan, Chapman, Tim, Drysdale, Martin, Gilbert, Ian H., Hoelder, Swen, Jordan, Allan, Ley, Steven V., Merritt, Andy, Miller, David, Swarbrick, Martin E., Wyatt, Paul G.

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Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents von Francis, Stuart, Croft, Daniel, Schüttelkopf, Alexander W., Parry, Charles, Pugliese, Angelo, Cameron, Ken, Claydon, Sophie, Drysdale, Martin, Gardner, Claire, Gohlke, Andrea, Goodwin, Gillian, Gray, Christopher H., Konczal, Jennifer, McDonald, Laura, Mezna, Mokdad, Pannifer, Andrew, Paul, Nikki R., Machesky, Laura, McKinnon, Heather, Bower, Justin

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Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling von Yelland, Tamas, Garcia, Esther, Parry, Charles, Kowalczyk, Dominika, Wojnowska, Marta, Gohlke, Andrea, Zalar, Matja, Cameron, Kenneth, Goodwin, Gillian, Yu, Qing, Zhu, Peng-Cheng, ElMaghloob, Yasmin, Pugliese, Angelo, Archibald, Lewis, Jamieson, Andrew, Chen, Yong Xiang, McArthur, Duncan, Bower, Justin, Ismail, Shehab

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Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling von Yelland, Tamas, Garcia, Esther, Parry, Charles, Kowalczyk, Dominika, Wojnowska, Marta, Gohlke, Andrea, Zalar, Matja, Cameron, Kenneth, Goodwin, Gillian, Yu, Qing, Zhu, Peng-Cheng, ElMaghloob, Yasmin, Pugliese, Angelo, Archibald, Lewis, Jamieson, Andrew, Chen, Yong Xiang, McArthur, Duncan, Bower, Justin, Ismail, Shehab

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Discovery and characterization of novel TRPML1 agonists von Peng, Xiaowen, Holler, Christopher J., Alves, Anna-Maria F., Oliviera, Michelle G., Speake, Michael, Pugliese, Angelo, Oskouei, Mina R., de Freitas, Ivan D., Chen, Angela Y.-P., Gallegos, Richard, McTighe, Stephanie M., Koenig, Gerhard, Hurst, Raymond S., Blain, Jean-François, Lanter, James C., Burnett, Duane A.

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Herbacetin Is a Novel Allosteric Inhibitor of Ornithine Decarboxylase with Antitumor Activity von Kim, Dong Joon, Roh, Eunmiri, Lee, Mee-Hyun, Oi, Naomi, Lim, Do Young, Kim, Myoung Ok, Cho, Young-Yeon, Pugliese, Angelo, Shim, Jung-Hyun, Chen, Hanyong, Cho, Eun Jin, Kim, Jong-Eun, Kang, Sun Chul, Paul, Souren, Kang, Hee Eun, Jung, Ji Won, Lee, Sung-Young, Kim, Sung-Hyun, Reddy, Kanamata, Yeom, Young Il, Bode, Ann M, Dong, Zigang

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Eriodictyol Inhibits RSK2-ATF1 Signaling and Suppresses EGF-induced Neoplastic Cell Transformation von Liu, Kangdong, Cho, Yong-Yeon, Yao, Ke, Nadas, Janos, Kim, Dong Joon, Cho, Eun-Jin, Lee, Mee-Hyun, Pugliese, Angelo, Zhang, Jishuai, Bode, Ann M., Dong, Ziming, Dong, Zigang

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A Central Role for Biophysics in Cancer Drug Discovery - Development of Candidate Small Molecule Inhibitors in Mutant KRas von Gohlke, Andrea, Bower, Justin, Brown, Peter N., Cameron, Ken S., Drysdale, Martin, Goodwin, Gillian, Gray, Christopher, Konczal, Jen, McArthur, Duncan, McKinnon, Heather, Mezna, Mokdad, Pugliese, Angelo, Schuettelkopf, Alexander W.

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Abstract LB-228: Identifying small molecule inhibitors of Fascin 1 using fragment-based drug discovery von Croft, Daniel, Francis, Stuart, Bower, Justin, Gohlke, Andrea, Goodwin, Gillian, Gray, Christopher, Konczal, Jennifer, Macconnachie, Sophie, McConnell, Patricia, McDonald, Laura, McKinnon, Heather, Mezna, Mokdad, Parry, Charles, Paul, Nikki, Pugliese, Angelo, Schuettelkopf, Alexander, Machesky, Laura, Drysdale, Martin

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Role of NEK6 in Tumor Promoter-induced Transformation in JB6 C141 Mouse Skin Epidermal Cells von Jeon, Young Jin, Lee, Kun Yeong, Cho, Yong-Yeon, Pugliese, Angelo, Kim, Hong Gyum, Jeong, Chul-Ho, Bode, Ann M., Dong, Zigang

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