Structural basis of the effect of activating mutations on the EGF receptor
Galdadas, Ioannis, Carlino, Luca, Ward, Richard A, Hughes, Samantha J, Haider, Shozeb, Gervasio, Francesco Luigi
Published in eLife (28.07.2021)
Published in eLife (28.07.2021)
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Journal Article
Colonization and diversification of aquatic insects on three Macaronesian archipelagos using 59 nuclear loci derived from a draft genome
Rutschmann, Sereina, Detering, Harald, Simon, Sabrina, Funk, David H., Gattolliat, Jean-Luc, Hughes, Samantha J., Raposeiro, Pedro M., DeSalle, Rob, Sartori, Michel, Monaghan, Michael T.
Published in Molecular phylogenetics and evolution (01.02.2017)
Published in Molecular phylogenetics and evolution (01.02.2017)
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Journal Article
Evolution and island endemism of morphologically cryptic Baetis and Cloeon species (Ephemeroptera, Baetidae) on the Canary Islands and Madeira
Rutschmann, Sereina, Gattolliat, Jean‐Luc, Hughes, Samantha J, Báez, Marcos, Sartori, Michel, Monaghan, Michael T
Published in Freshwater biology (01.12.2014)
Published in Freshwater biology (01.12.2014)
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Journal Article
Potent, Selective, and CNS-Penetrant Tetrasubstituted Cyclopropane Class IIa Histone Deacetylase (HDAC) Inhibitors
Luckhurst, Christopher A, Breccia, Perla, Stott, Andrew J, Aziz, Omar, Birch, Helen L, Bürli, Roland W, Hughes, Samantha J, Jarvis, Rebecca E, Lamers, Marieke, Leonard, Philip M, Matthews, Kim L, McAllister, George, Pollack, Scott, Saville-Stones, Elizabeth, Wishart, Grant, Yates, Dawn, Dominguez, Celia
Published in ACS medicinal chemistry letters (14.01.2016)
Published in ACS medicinal chemistry letters (14.01.2016)
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Journal Article
Taxonomy, metrics or traits? Assessing macroinvertebrate community responses to daily flow peaking in a highly regulated Brazilian river system
Tupinambás, Taynan H., Cortes, Rui M. V., Varandas, Simone G., Hughes, Samantha J., França, Juliana S., Callisto, Marcos
Published in Ecohydrology (01.04.2014)
Published in Ecohydrology (01.04.2014)
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Journal Article
TAK1 Inhibition in the DFG-Out Conformation
Kilty, Iain, Green, Martin P., Bell, Andrew S., Brown, David G., Dodd, Peter G., Hewson, Christopher, Hughes, Samantha J., Phillips, Christopher, Ryckmans, Thomas, Smith, Robert T., van Hoorn, Willem P., Cohen, Philip, Jones, Lyn H.
Published in Chemical biology & drug design (01.11.2013)
Published in Chemical biology & drug design (01.11.2013)
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Journal Article
Prospectively Validated Proteochemometric Models for the Prediction of Small-Molecule Binding to Bromodomain Proteins
Giblin, Kathryn A, Hughes, Samantha J, Boyd, Helen, Hansson, Pia, Bender, Andreas
Published in Journal of chemical information and modeling (24.09.2018)
Published in Journal of chemical information and modeling (24.09.2018)
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Journal Article
Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models
Winter-Holt, Jon J, Bardelle, Catherine, Chiarparin, Elisabetta, Dale, Ian L, Davey, Paul R. J, Davies, Nichola L, Denz, Christopher, Fillery, Shaun M, Guérot, Carine M, Han, Fujin, Hughes, Samantha J, Kulkarni, Meghana, Liu, Zhaoqun, Milbradt, Alexander, Moss, Thomas A, Niu, Huijun, Patel, Joe, Rabow, Alfred A, Schimpl, Marianne, Shi, Junjie, Sun, Dongqing, Yang, Dejian, Guichard, Sylvie
Published in Journal of medicinal chemistry (24.02.2022)
Published in Journal of medicinal chemistry (24.02.2022)
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Journal Article
New Associations between Drug-Induced Adverse Events in Animal Models and Humans Reveal Novel Candidate Safety Targets
Giblin, Kathryn A, Basili, Danilo, Afzal, Avid M, Rosenbrier-Ribeiro, Lyn, Greene, Nigel, Barrett, Ian, Hughes, Samantha J, Bender, Andreas
Published in Chemical research in toxicology (15.02.2021)
Published in Chemical research in toxicology (15.02.2021)
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Journal Article
Accelerated Discovery of Carbamate Cbl‑b Inhibitors Using Generative AI Models and Structure-Based Drug Design
Quinn, Taylor R., Giblin, Kathryn A., Thomson, Clare, Boerth, Jeffrey A., Bommakanti, Gayathri, Braybrooke, Erin, Chan, Christina, Chinn, Alex J., Code, Erin, Cui, Caifeng, Fan, Yukai, Grimster, Neil P., Kohara, Keishi, Lamb, Michelle L., Ma, Lina, Mfuh, Adelphe M., Robb, Graeme R., Robbins, Kevin J., Schimpl, Marianne, Tang, Haoran, Ware, Jamie, Wrigley, Gail L., Xue, Lin, Zhang, Yun, Zhu, Huimin, Hughes, Samantha J.
Published in Journal of medicinal chemistry (22.08.2024)
Published in Journal of medicinal chemistry (22.08.2024)
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Journal Article
Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl‑b Inhibitors
Mfuh, Adelphe M., Boerth, Jeffrey A., Bommakanti, Gayathri, Chan, Christina, Chinn, Alex J., Code, Erin, Fricke, Patrick J., Giblin, Kathryn A., Gohlke, Andrea, Hansel, Catherine, Hariparsad, Niresh, Hughes, Samantha J., Jin, Meizhong, Kantae, Vasudev, Kavanagh, Stefan L., Lamb, Michelle L., Lane, Jordan, Moore, Rachel, Puri, Taranee, Quinn, Taylor R., Reddy, Iswarya, Robb, Graeme R., Robbins, Kevin J., Gancedo Rodrigo, Miguel, Schimpl, Marianne, Singh, Baljinder, Singh, Meha, Tang, Haoran, Thomson, Clare, Walsh, Jarrod J., Ware, Jamie, Watson, Iain D. G., Ye, Min-Wei, Wrigley, Gail L., Zhang, Andrew X., Zhang, Yun, Grimster, Neil P.
Published in Journal of medicinal chemistry (25.01.2024)
Published in Journal of medicinal chemistry (25.01.2024)
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Journal Article
PELE-MSM: A Monte Carlo Based Protocol for the Estimation of Absolute Binding Free Energies
Gilabert, Joan F, Grebner, Christoph, Soler, Daniel, Lecina, Daniel, Municoy, Martí, Gracia Carmona, Oriol, Soliva, Robert, Packer, Martin J, Hughes, Samantha J, Tyrchan, Christian, Hogner, Anders, Guallar, Victor
Published in Journal of chemical theory and computation (12.11.2019)
Published in Journal of chemical theory and computation (12.11.2019)
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Journal Article
Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists
Scott, James S., Stead, Darren, Barlaam, Bernard, Breed, Jason, Carbajo, Rodrigo J., Chiarparin, Elisabetta, Cureton, Natalie, Davey, Paul R. J., Fisher, David I., Gangl, Eric T., Grebe, Tyler, Greenwood, Ryan D., Hande, Sudhir, Hatoum-Mokdad, Holia, Hughes, Samantha J., Hunt, Thomas A., Johnson, Tony, Kavanagh, Stefan L., Klinowska, Teresa C. M., Larner, Carrie J. B., Lawson, Mandy, Lister, Andrew S., Longmire, David, Marden, Stacey, McGuire, Thomas M., McMillan, Caroline, McMurray, Lindsay, Morrow, Christopher J., Nissink, J. Willem M., Moss, Thomas A., O’Donovan, Daniel H., Polanski, Radoslaw, Stokes, Stephen, Thakur, Kumar, Trueman, Dawn, Truman, Caroline, Tucker, Michael J., Wang, Haixia, Whalley, Nicky, Wu, Dedong, Wu, Ye, Yang, Bin, Yang, Wenzhan
Published in Journal of medicinal chemistry (23.02.2023)
Published in Journal of medicinal chemistry (23.02.2023)
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Journal Article
Design and Synthesis of Inhaled p38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease
Millan, David S, Bunnage, Mark E, Burrows, Jane L, Butcher, Kenneth J, Dodd, Peter G, Evans, Timothy J, Fairman, David A, Hughes, Samantha J, Kilty, Iain C, Lemaitre, Arnaud, Lewthwaite, Russell A, Mahnke, Axel, Mathias, John P, Philip, James, Smith, Robert T, Stefaniak, Mark H, Yeadon, Michael, Phillips, Christopher
Published in Journal of medicinal chemistry (24.11.2011)
Published in Journal of medicinal chemistry (24.11.2011)
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Journal Article
DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines
Käck, Helena, Doyle, Kevin, Hughes, Samantha J, Bodnarchuk, Michael S, Lönn, Hans, Van De Poël, Amanda, Palmer, Nicholas
Published in ACS medicinal chemistry letters (08.08.2019)
Published in ACS medicinal chemistry letters (08.08.2019)
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Journal Article
Macroinvertebrate responses to distinct hydrological patterns in a tropical regulated river
Tupinambás, Taynan H., Cortes, Rui M. V., Hughes, Samantha J., Varandas, Simone G., Callisto, Marcos
Published in Ecohydrology (01.04.2016)
Published in Ecohydrology (01.04.2016)
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Journal Article
Fragment based discovery of a novel and selective PI3 kinase inhibitor
Hughes, Samantha J., Millan, David S., Kilty, Iain C., Lewthwaite, Russell A., Mathias, John P., O’Reilly, Mark A., Pannifer, Andrew, Phelan, Anne, Stühmeier, Frank, Baldock, Darren A., Brown, David G.
Published in Bioorganic & medicinal chemistry letters (01.11.2011)
Published in Bioorganic & medicinal chemistry letters (01.11.2011)
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Journal Article
Molecular dynamics simulations of LysRS: An asymmetric state
Hughes, Samantha J., Tanner, Julian A., Miller, Andrew D., Gould, Ian R.
Published in Proteins, structure, function, and bioinformatics (15.02.2006)
Published in Proteins, structure, function, and bioinformatics (15.02.2006)
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