Mutagenesis and functional studies with succinate dehydrogenase inhibitors in the wheat pathogen Mycosphaerella graminicola
Scalliet, Gabriel, Bowler, Judith, Luksch, Torsten, Kirchhofer-Allan, Lucy, Steinhauer, Diana, Ward, Keith, Niklaus, Michael, Verras, Andreas, Csukai, Michael, Daina, Antoine, Fonné-Pfister, Raymonde
Published in PloS one (19.04.2012)
Published in PloS one (19.04.2012)
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MAIP: a web service for predicting blood‐stage malaria inhibitors
Bosc, Nicolas, Felix, Eloy, Arcila, Ricardo, Mendez, David, Saunders, Martin R., Green, Darren V. S., Ochoada, Jason, Shelat, Anang A., Martin, Eric J., Iyer, Preeti, Engkvist, Ola, Verras, Andreas, Duffy, James, Burrows, Jeremy, Gardner, J. Mark F., Leach, Andrew R.
Published in Journal of cheminformatics (22.02.2021)
Published in Journal of cheminformatics (22.02.2021)
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Identification and characterization of sebaceous gland atrophy-sparing DGAT1 inhibitors
Muise, Eric S, Zhu, Yonghua, Verras, Andreas, Karanam, Bindhu V, Gorski, Judith, Weingarth, Drew, Lin, Hua V, Hwa, Joyce, Thompson, John R, Hu, Guanghui, Liu, Jian, He, Shuwen, DeVita, Robert J, Shen, Dong-Ming, Pinto, Shirly
Published in PloS one (18.02.2014)
Published in PloS one (18.02.2014)
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QSAR Prediction of Passive Permeability in the LLC-PK1 Cell Line: Trends in Molecular Properties and Cross-Prediction of Caco-2 Permeabilities
Sherer, Edward C., Verras, Andreas, Madeira, Maria, Hagmann, William K., Sheridan, Robert P., Roberts, Drew, Bleasby, Kelly, Cornell, Wendy D.
Published in Molecular informatics (01.04.2012)
Published in Molecular informatics (01.04.2012)
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Journal Article
The discovery of non-benzimidazole and brain-penetrant prolylcarboxypeptidase inhibitors
Graham, Thomas H., Shen, Hong C., Liu, Wensheng, Xiong, Yusheng, Verras, Andreas, Bleasby, Kelly, Bhatt, Urmi R., Chabin, Renee M., Chen, Dunlu, Chen, Qing, Garcia-Calvo, Margarita, Geissler, Wayne M., He, Huaibing, Lassman, Michael E., Shen, Zhu, Tong, Xinchun, Tung, Elaine C., Xie, Dan, Xu, Suoyu, Colletti, Steven L., Tata, James R., Hale, Jeffrey J., Pinto, Shirly, Shen, Dong-Ming
Published in Bioorganic & medicinal chemistry letters (01.01.2012)
Published in Bioorganic & medicinal chemistry letters (01.01.2012)
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Journal Article
Is Multitask Deep Learning Practical for Pharma?
Ramsundar, Bharath, Liu, Bowen, Wu, Zhenqin, Verras, Andreas, Tudor, Matthew, Sheridan, Robert P, Pande, Vijay
Published in Journal of chemical information and modeling (28.08.2017)
Published in Journal of chemical information and modeling (28.08.2017)
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Journal Article
Discovery and characterization of novel inhibitors of CTP synthase 1 (CTPS1) for the treatment of autoimmune and inflammatory disease
McElwee, Joshua J, Kaila, Neelu, Carreiro, Samantha, Kumar, Sheetal, Toms, Angela V, Phadke, Avinash, Jacques, Suzanne, Caravella, Justin A, Kreutter, Kevin, Campos, Sebastien, Verras, Andreas, Albanese, Steven K, Demarco, Kevin R, DiMattia, Michael A, Lynch, Eric, Kollman, Justin, Tummino, Peter
Published in The Journal of immunology (1950) (01.05.2023)
Published in The Journal of immunology (1950) (01.05.2023)
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Journal Article
Structural basis for isoform-specific inhibition of human CTPS1
Lynch, Eric M, DiMattia, Michael A, Albanese, Steven, van Zundert, Gydo C P, Hansen, Jesse M, Quispe, Joel D, Kennedy, Madison A, Verras, Andreas, Borrelli, Kenneth, Toms, Angela V, Kaila, Neelu, Kreutter, Kevin D, McElwee, Joshua J, Kollman, Justin M
Published in Proceedings of the National Academy of Sciences - PNAS (05.10.2021)
Published in Proceedings of the National Academy of Sciences - PNAS (05.10.2021)
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Journal Article
Microscale High-Throughput Experimentation as an Enabling Technology in Drug Discovery: Application in the Discovery of (Piperidinyl)pyridinyl‑1H‑benzimidazole Diacylglycerol Acyltransferase 1 Inhibitors
Cernak, Tim, Gesmundo, Nathan J, Dykstra, Kevin, Yu, Yang, Wu, Zhicai, Shi, Zhi-Cai, Vachal, Petr, Sperbeck, Donald, He, Shuwen, Murphy, Beth Ann, Sonatore, Lisa, Williams, Steven, Madeira, Maria, Verras, Andreas, Reiter, Maud, Lee, Claire Heechoon, Cuff, James, Sherer, Edward C, Kuethe, Jeffrey, Goble, Stephen, Perrotto, Nicholas, Pinto, Shirly, Shen, Dong-Ming, Nargund, Ravi, Balkovec, James, DeVita, Robert J, Dreher, Spencer D
Published in Journal of medicinal chemistry (11.05.2017)
Published in Journal of medicinal chemistry (11.05.2017)
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Journal Article
Optimization and Mechanistic Investigations of Novel Allosteric Activators of PKG1α
Mak, Victor W., Patel, Akash M., Yen, Rose, Hanisak, Jennifer, Lim, Yeon-Hee, Bao, Jianming, Zheng, Rong, Seganish, W. Michael, Yu, Yang, Healy, David R., Ogawa, Aimie, Ren, Zhao, Soriano, Aileen, Ermakov, Grigori P., Beaumont, Maribel, Metwally, Essam, Cheng, Alan C., Verras, Andreas, Fischmann, Thierry, Zebisch, Matthias, Silvestre, H. Leonardo, McEwan, Paul A., Barker, John, Rearden, Paul, Greshock, Thomas J.
Published in Journal of medicinal chemistry (11.08.2022)
Published in Journal of medicinal chemistry (11.08.2022)
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Journal Article
Discovery of the First Non-cGMP Mimetic Small Molecule Activators of cGMP-Dependent Protein Kinase 1 α (PKG1α)
Hanisak, Jennifer, Soriano, Aileen, Adam, Gregory C, Basso, Andrea, Bauman, David, Bell, David, Frank, Emily, O’Donnell, Gregory, Tawa, Paul, Verras, Andreas, Yu, Yang, Zhang, Lei, Seganish, W. Michael
Published in ACS medicinal chemistry letters (12.08.2021)
Published in ACS medicinal chemistry letters (12.08.2021)
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Discovery of indazole aldosterone synthase (CYP11B2) inhibitors as potential treatments for hypertension
Hoyt, Scott B., Taylor, Jerry, London, Clare, Ali, Amjad, Ujjainwalla, Feroze, Tata, Jim, Struthers, Mary, Cully, Doris, Wisniewski, Tom, Ren, Ning, Bopp, Charlene, Sok, Andrea, Verras, Andreas, McMasters, Daniel, Chen, Qing, Tung, Elaine, Tang, Wei, Salituro, Gino, Clemas, Joe, Zhou, Gaochao, MacNeil, Douglas, Duffy, Ruth, Xiong, Yusheng
Published in Bioorganic & medicinal chemistry letters (01.06.2017)
Published in Bioorganic & medicinal chemistry letters (01.06.2017)
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Journal Article
Informing the Selection of Screening Hit Series with in Silico Absorption, Distribution, Metabolism, Excretion, and Toxicity Profiles
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
Published in Journal of medicinal chemistry (24.08.2017)
Published in Journal of medicinal chemistry (24.08.2017)
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Journal Article
Development of indazole mineralocorticoid receptor antagonists and investigation into their selective late-stage functionalization
Liu, Kun, Kurukulasuriya, Ravi, Dykstra, Kevin, DiMichelle, Lisa, Liu, Jinchu, Vachal, Petr, Ogawa, Anthony, DeVita, Robert J., Shen, Dong-Ming, Tan, Qiang, Chen, Yili, Gauthier, Don, Verras, Andreas, Crespo, Alejandro, Zamlynny, Beata, Madwed, Jeffrey, Hoek, Maarten, Bateman, Thomas, Yang, Yun-Fang, Houk, K.N., Krska, Shane, Cernak, Tim
Published in Bioorganic & medicinal chemistry letters (15.07.2019)
Published in Bioorganic & medicinal chemistry letters (15.07.2019)
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Journal Article
Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition
Verras, Andreas, Waller, Chris L, Gedeck, Peter, Green, Darren V. S, Kogej, Thierry, Raichurkar, Anandkumar, Panda, Manoranjan, Shelat, Anang A, Clark, Julie, Guy, R. Kiplin, Papadatos, George, Burrows, Jeremy
Published in Journal of chemical information and modeling (27.03.2017)
Published in Journal of chemical information and modeling (27.03.2017)
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Journal Article
Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort
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
Published in Journal of computer-aided molecular design (2018)
Published in Journal of computer-aided molecular design (2018)
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Journal Article
Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016
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
Published in Journal of computer-aided molecular design (2018)
Published in Journal of computer-aided molecular design (2018)
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Journal Article
Accelerating the discovery of DGAT1 inhibitors through the application of parallel medicinal chemistry (PMC)
Yu, Yang, Wu, Zhicai, Shi, Zhi-Cai, He, Shuwen, Lai, Zhong, Cernak, Timothy A., Vachal, Petr, Liu, Min, Liu, Jian, Hong, Qingmei, Jian, Tianying, Guiadeen, Deodial, Krikorian, Arto, Sperbeck, Donald M., Verras, Andreas, Sonatore, Lisa M., Murphy, Beth A., Wiltsie, Judyann, Chung, Christine C., Gorski, Judith N., Liu, Jinqi, Xiao, Jianying, Wolff, Michael, Tong, Sharon X., Madeira, Maria, Karanam, Bindhu V., Shen, Dong-Ming, Balkovec, James M., De Vita, Robert J., Pinto, Shirly, Nargund, Ravi P.
Published in Bioorganic & medicinal chemistry letters (01.06.2019)
Published in Bioorganic & medicinal chemistry letters (01.06.2019)
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Journal Article
Discovery and Pharmacology of a Novel Class of Diacylglycerol Acyltransferase 2 Inhibitors
Imbriglio, Jason E, Shen, Dong-Ming, Liang, Rui, Marby, Ken, You, Ming, Youm, Hye Won, Feng, Zhe, London, Clare, Xiong, Yusheng, Tata, Jim, Verras, Andreas, Garcia-Calvo, Margarita, Song, Xuelei, Addona, George H, McLaren, Dave G, He, Timothy, Murphy, Beth, Metzger, Dan E, Salituro, Gino, Deckman, Diana, Chen, Qing, Jin, Xiaoling, Stout, Steven J, Wang, Sheng-Ping, Wilsie, Larissa, Palyha, Oksana, Han, Seongah, Hubbard, Brian K, Previs, Stephen F, Pinto, Shirly, Taggart, Andrew
Published in Journal of medicinal chemistry (10.12.2015)
Published in Journal of medicinal chemistry (10.12.2015)
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Journal Article
Discovery of Chromane Propionic Acid Analogues as Selective Agonists of GPR120 with in Vivo Activity in Rodents
Adams, Gregory L, Velazquez, Francisco, Jayne, Charles, Shah, Unmesh, Miao, Shouwu, Ashley, Eric R, Madeira, Maria, Akiyama, Taro E, Di Salvo, Jerry, Suzuki, Takao, Wang, Nengxue, Truong, Quang, Gilbert, Eric, Zhou, Dan, Verras, Andreas, Kirkland, Melissa, Pachanski, Michele, Powles, Maryann, Yin, Wu, Ujjainwalla, Feroze, Venkatraman, Srikanth, Edmondson, Scott D
Published in ACS medicinal chemistry letters (12.01.2017)
Published in ACS medicinal chemistry letters (12.01.2017)
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