OpenZika: An IBM World Community Grid Project to Accelerate Zika Virus Drug Discovery
Ekins, Sean, Perryman, Alexander L, Horta Andrade, Carolina
Published in PLoS neglected tropical diseases (20.10.2016)
Published in PLoS neglected tropical diseases (20.10.2016)
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Journal Article
Blind prediction of HIV integrase binding from the SAMPL4 challenge
Mobley, David L., Liu, Shuai, Lim, Nathan M., Wymer, Karisa L., Perryman, Alexander L., Forli, Stefano, Deng, Nanjie, Su, Justin, Branson, Kim, Olson, Arthur J.
Published in Journal of computer-aided molecular design (01.04.2014)
Published in Journal of computer-aided molecular design (01.04.2014)
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Journal Article
Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA
Kumar, Pradeep, Capodagli, Glenn C, Awasthi, Divya, Shrestha, Riju, Maharaja, Karishma, Sukheja, Paridhi, Li, Shao-Gang, Inoyama, Daigo, Zimmerman, Matthew, Ho Liang, Hsin Pin, Sarathy, Jansy, Mina, Marizel, Rasic, George, Russo, Riccardo, Perryman, Alexander L, Richmann, Todd, Gupta, Aditi, Singleton, Eric, Verma, Sheetal, Husain, Seema, Soteropoulos, Patricia, Wang, Zhe, Morris, Roxanne, Porter, Gene, Agnihotri, Gautam, Salgame, Padmini, Ekins, Sean, Rhee, Kyu Y, Connell, Nancy, Dartois, Véronique, Neiditch, Matthew B, Freundlich, Joel S, Alland, David
Published in mBio (18.12.2018)
Published in mBio (18.12.2018)
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Journal Article
Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge
Gallicchio, Emilio, Deng, Nanjie, He, Peng, Wickstrom, Lauren, Perryman, Alexander L., Santiago, Daniel N., Forli, Stefano, Olson, Arthur J., Levy, Ronald M.
Published in Journal of computer-aided molecular design (01.04.2014)
Published in Journal of computer-aided molecular design (01.04.2014)
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Journal Article
Pruned Machine Learning Models to Predict Aqueous Solubility
Perryman, Alexander L, Inoyama, Daigo, Patel, Jimmy S, Ekins, Sean, Freundlich, Joel S
Published in ACS omega (14.07.2020)
Published in ACS omega (14.07.2020)
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Journal Article
Identification of a novel drug lead that inhibits HCV infection and cell-to-cell transmission by targeting the HCV E2 glycoprotein
Al Olaby, Reem R, Cocquerel, Laurence, Zemla, Adam, Saas, Laure, Dubuisson, Jean, Vielmetter, Jost, Marcotrigiano, Joseph, Khan, Abdul Ghafoor, Vences Catalan, Felipe, Perryman, Alexander L, Freundlich, Joel S, Forli, Stefano, Levy, Shoshana, Balhorn, Rod, Azzazy, Hassan M
Published in PloS one (30.10.2014)
Published in PloS one (30.10.2014)
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Journal Article
Small Molecule Regulation of Protein Conformation by Binding in the Flap of HIV Protease
Tiefenbrunn, Theresa, Forli, Stefano, Baksh, Michael M, Chang, Max W, Happer, Meaghan, Lin, Ying-Chuan, Perryman, Alexander L, Rhee, Jin-Kyu, Torbett, Bruce E, Olson, Arthur J, Elder, John H, Finn, M. G, Stout, C. David
Published in ACS chemical biology (21.06.2013)
Published in ACS chemical biology (21.06.2013)
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Journal Article
Fragment-Based Screen against HIV Protease
Perryman, Alexander L, Zhang, Qing, Soutter, Holly H, Rosenfeld, Robin, McRee, Duncan E, Olson, Arthur J, Elder, John E, David Stout, C
Published in Chemical biology & drug design (01.03.2010)
Published in Chemical biology & drug design (01.03.2010)
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Journal Article
Non-classical transpeptidases yield insight into new antibacterials
Kumar, Pankaj, Kaushik, Amit, Lloyd, Evan P, Li, Shao-Gang, Mattoo, Rohini, Ammerman, Nicole C, Bell, Drew T, Perryman, Alexander L, Zandi, Trevor A, Ekins, Sean, Ginell, Stephan L, Townsend, Craig A, Freundlich, Joel S, Lamichhane, Gyanu
Published in Nature chemical biology (01.01.2017)
Published in Nature chemical biology (01.01.2017)
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Journal Article
Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery
Lane, Thomas, Russo, Daniel P, Zorn, Kimberley M, Clark, Alex M, Korotcov, Alexandru, Tkachenko, Valery, Reynolds, Robert C, Perryman, Alexander L, Freundlich, Joel S, Ekins, Sean
Published in Molecular pharmaceutics (01.10.2018)
Published in Molecular pharmaceutics (01.10.2018)
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Journal Article
Naïve Bayesian Models for Vero Cell Cytotoxicity
Perryman, Alexander L., Patel, Jimmy S., Russo, Riccardo, Singleton, Eric, Connell, Nancy, Ekins, Sean, Freundlich, Joel S.
Published in Pharmaceutical research (01.09.2018)
Published in Pharmaceutical research (01.09.2018)
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Journal Article
Identification and Biosynthesis of an N-Glucuronide Metabolite of Camonsertib
Papp, Robert, Trimble, Laird, Fretland, Adrian J, Manohar, Ravi, Phipps, Richard, Kvaerno, Lisbet, Perryman, Alexander L, Reynolds, Gregory, Black, W Cameron
Published in Drug metabolism and disposition (01.05.2024)
Published in Drug metabolism and disposition (01.05.2024)
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Journal Article
The A-Z of Zika drug discovery
Mottin, Melina, Borba, Joyce V V B, Braga, Rodolpho C, Torres, Pedro H M, Martini, Matheus C, Proenca-Modena, Jose Luiz, Judice, Carla C, Costa, Fabio T M, Ekins, Sean, Perryman, Alexander L, Horta Andrade, Carolina
Published in Drug discovery today (01.11.2018)
Published in Drug discovery today (01.11.2018)
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Journal Article
Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306
Szychowski, Janek, Papp, Robert, Dietrich, Evelyne, Liu, Bingcan, Vallée, Frédéric, Leclaire, Marie-Eve, Fourtounis, Jimmy, Martino, Giovanni, Perryman, Alexander L., Pau, Victor, Yin, Shou Yun, Mader, Pavel, Roulston, Anne, Truchon, Jean-Francois, Marshall, C. Gary, Diallo, Mohamed, Duffy, Nicole M., Stocco, Rino, Godbout, Claude, Bonneau-Fortin, Alexanne, Kryczka, Rosie, Bhaskaran, Vivek, Mao, Daniel, Orlicky, Stephen, Beaulieu, Patrick, Turcotte, Pascal, Kurinov, Igor, Sicheri, Frank, Mamane, Yael, Gallant, Michel, Black, W. Cameron
Published in Journal of medicinal chemistry (11.08.2022)
Published in Journal of medicinal chemistry (11.08.2022)
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Journal Article
A Novel Small-Molecule Inhibitor of the Mycobacterium tuberculosis Demethylmenaquinone Methyltransferase MenG Is Bactericidal to Both Growing and Nutritionally Deprived Persister Cells
Sukheja, Paridhi, Kumar, Pradeep, Mittal, Nisha, Li, Shao-Gang, Singleton, Eric, Russo, Riccardo, Perryman, Alexander L, Shrestha, Riju, Awasthi, Divya, Husain, Seema, Soteropoulos, Patricia, Brukh, Roman, Connell, Nancy, Freundlich, Joel S, Alland, David
Published in mBio (14.02.2017)
Published in mBio (14.02.2017)
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Journal Article
Machine Learning Model Analysis and Data Visualization with Small Molecules Tested in a Mouse Model of Mycobacterium tuberculosis Infection (2014–2015)
Ekins, Sean, Perryman, Alexander L, Clark, Alex M, Reynolds, Robert C, Freundlich, Joel S
Published in Journal of chemical information and modeling (25.07.2016)
Published in Journal of chemical information and modeling (25.07.2016)
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Journal Article