Uncertainty quantification in drug design
Mervin, Lewis H., Johansson, Simon, Semenova, Elizaveta, Giblin, Kathryn A., Engkvist, Ola
Published in Drug discovery today (01.02.2021)
Published in Drug discovery today (01.02.2021)
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De novo design with deep generative models based on 3D similarity scoring
Papadopoulos, Kostas, Giblin, Kathryn A., Janet, Jon Paul, Patronov, Atanas, Engkvist, Ola
Published in Bioorganic & medicinal chemistry (15.08.2021)
Published in Bioorganic & medicinal chemistry (15.08.2021)
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Journal Article
Erratum to “De novo design with deep generative models based on 3D similarity scoring” [Bioorg. Med. Chem. 44 (2021) 116308]
Papadopoulos, Kostas, Giblin, Kathryn A., Janet, Jon Paul, Patronov, Atanas, Engkvist, Ola
Published in Bioorganic & medicinal chemistry (15.09.2021)
Published in Bioorganic & medicinal chemistry (15.09.2021)
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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
DockStream: a docking wrapper to enhance de novo molecular design
Guo, Jeff, Janet, Jon Paul, Bauer, Matthias R., Nittinger, Eva, Giblin, Kathryn A., Papadopoulos, Kostas, Voronov, Alexey, Patronov, Atanas, Engkvist, Ola, Margreitter, Christian
Published in Journal of cheminformatics (17.11.2021)
Published in Journal of cheminformatics (17.11.2021)
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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
Validity of remote live stream video evaluation of the North Star Ambulatory Assessment in patients with Duchenne muscular dystrophy
P Lowes, Linda, Alfano, Lindsay N, Iammarino, Megan A, Reash, Natalie F, Giblin, Kathryn, Hu, Larry, Yu, Lixi, Wang, Shufang, Salazar, Rachel, Mendell, Jerry R
Published in PloS one (16.05.2024)
Published in PloS one (16.05.2024)
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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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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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Burden of illness of trigeminal neuralgia among patients managed in a specialist center in England
O’Callaghan, Lasair, Floden, Lysbeth, Vinikoor-Imler, Lisa, Symonds, Tara, Giblin, Kathryn, Hartford, Chris, Zakrzewska, Joanna M.
Published in Journal of headache and pain (10.11.2020)
Published in Journal of headache and pain (10.11.2020)
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Journal Article
Early treatment suppresses the development of spike‐wave epilepsy in a rat model
Blumenfeld, Hal, Klein, Joshua P., Schridde, Ulrich, Vestal, Matthew, Rice, Timothy, Khera, Davender S., Bashyal, Chhitij, Giblin, Kathryn, Paul‐Laughinghouse, Crystal, Wang, Frederick, Phadke, Anuradha, Mission, John, Agarwal, Ravi K., Englot, Dario J., Motelow, Joshua, Nersesyan, Hrachya, Waxman, Stephen G., Levin, April R.
Published in Epilepsia (Copenhagen) (01.03.2008)
Published in Epilepsia (Copenhagen) (01.03.2008)
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Discovery of a Novel Benzodiazepine Series of Cbl‑b Inhibitors for the Enhancement of Antitumor Immunity
Boerth, Jeffrey A., Chinn, Alex J., Schimpl, Marianne, Bommakanti, Gayathri, Chan, Christina, Code, Erin L., Giblin, Kathryn A., Gohlke, Andrea, Hansel, Catherine S., Jin, Meizhong, Kavanagh, Stefan L., Lamb, Michelle L., Lane, Jordan S., Larner, Carrie J. B., Mfuh, Adelphe M., Moore, Rachel K., Puri, Taranee, Quinn, Taylor R., Ye, Minwei, Robbins, Kevin J., Gancedo-Rodrigo, Miguel, Tang, Haoran, Walsh, Jarrod, Ware, Jamie, Wrigley, Gail L., Reddy, Iswarya Karapa, Zhang, Yun, Grimster, Neil P.
Published in ACS medicinal chemistry letters (14.12.2023)
Published in ACS medicinal chemistry letters (14.12.2023)
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Journal Article
Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity
Svensson, Fredrik, Zoufir, Azedine, Mahmoud, Samar, Afzal, Avid M, Smit, Ines, Giblin, Kathryn A, Clements, Peter J, Mettetal, Jerome T, Pointon, Amy, Harvey, James S, Greene, Nigel, Williams, Richard V, Bender, Andreas
Published in Chemical research in toxicology (19.11.2018)
Published in Chemical research in toxicology (19.11.2018)
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Journal Article
The structure based design of dual HDAC/BET inhibitors as novel epigenetic probes
Atkinson, Stephen J., Soden, Peter E., Angell, Davina C., Bantscheff, Marcus, Chung, Chun-wa, Giblin, Kathryn A., Smithers, Nicholas, Furze, Rebecca C., Gordon, Laurie, Drewes, Gerard, Rioja, Inmaculada, Witherington, Jason, Parr, Nigel J., Prinjha, Rab K.
Published in MedChemComm (2014)
Published in MedChemComm (2014)
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Historical trend toward improved long-term outcome in childhood absence epilepsy
Morse, Elliot, Giblin, Kathryn, Chung, Mi Hae, Dohle, Carolin, Berg, Anne T., Blumenfeld, Hal
Published in Epilepsy research (01.05.2019)
Published in Epilepsy research (01.05.2019)
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Journal Article
Research approaches for evaluating opioid sparing in clinical trials of acute and chronic pain treatments: Initiative on Methods, Measurement, and Pain Assessment in Clinical Trials recommendations
Gewandter, Jennifer S., Smith, Shannon M., Dworkin, Robert H., Turk, Dennis C., Gan, Tong J., Gilron, Ian, Hertz, Sharon, Katz, Nathaniel P., Markman, John D., Raja, Srinivasa N., Rowbotham, Michael C., Stacey, Brett R., Strain, Eric C., Ward, Denham S., Farrar, John T., Kroenke, Kurt, Rathmell, James P., Rauck, Richard, Brown, Colville, Cowan, Penney, Edwards, Robert R., Eisenach, James C., Ferguson, McKenzie, Freeman, Roy, Gray, Roy, Giblin, Kathryn, Grol-Prokopczyk, Hanna, Haythornthwaite, Jennifer, Jamison, Robert N., Martel, Marc, McNicol, Ewan, L. Oshinsky, Michael, Sandbrink, Friedhelm, Scholz, Joachim, Scranton, Richard, Simon, Lee S., Steiner, Deborah, Verburg, Kenneth, Wasan, Ajay D., Wentworth, Kerry
Published in Pain (Amsterdam) (01.11.2021)
Published in Pain (Amsterdam) (01.11.2021)
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Research approaches for evaluating opioid sparing in clinical trials of acute and chronic pain treatments: IMMPACT recommendations
Gewandter, Jennifer S, Smith, Shannon M, Dworkin, Robert H, Turk, Dennis C, Gan, Tong Joo, Gilron, Ian, Hertz, Sharon, Katz, Nathaniel P, Markman, John D, Raja, Srinivasa N, Rowbotham, Michael C, Stacey, Brett R, Strain, Eric C, Ward, Denham S, Farrar, John T, Kroenke, Kurt, Rathmell, James P, Rauck, Richard, Brown, Colville, Cowan, Penney, Edwards, Robert R, Eisenach, James C, Ferguson, McKenzie, Freeman, Roy, Gray, Roy, Giblin, Kathryn, Grol-Prokopczyk, Hanna, Haythornthwaite, Jennifer, Jamison, Robert N, Martel, Marc, McNicol, Ewan, Oshinsky, Michael, Sandbrink, Friedhelm, Scholz, Joachim, Scranton, Richard, Simon, Lee S, Steiner, Deborah, Verburg, Kenneth, Wasan, Ajay D, Wentworth, Kerry
Published in Pain (Amsterdam) (01.11.2021)
Published in Pain (Amsterdam) (01.11.2021)
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Abstract 3453: First disclosure of a highly potent and selective HPK1 inhibitor that rescues T cell exhaustion
Mele, Deanna A., Grimster, Neil, Bommakanti, Gayathri, Shields, Jason, Morrill, Lucas, Giblin, Kathryn, SanMartin, Maryann, Wang, Yanjun, Ye, Minwei, KarapaReddy, Iswarya, Song, Kun, Proia, Theresa, Hariparsad, Niresh, Richards, Ryan, Luheshi, Nadia, Barry, Simon T., Fawell, Stephen
Published in Cancer research (Chicago, Ill.) (04.04.2023)
Published in Cancer research (Chicago, Ill.) (04.04.2023)
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