Zobrazeno 1 - 9 of 9 pro vyhledávání: '"Anna Carbery"'
1
Akademický článek
Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures
Autor: Anna Carbery, Martin Buttenschoen, Rachael Skyner, Frank von Delft, Charlotte M. Deane
Publikováno v: Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-17 (2024)
Abstract Protein-ligand binding site prediction is a useful tool for understanding the functional behaviour and potential drug-target interactions of a novel protein of interest. However, most binding site prediction methods are tested by providing c
Externí odkaz: https://doaj.org/article/20826a9cc211447c9e2924fdbcfa2204
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2
Akademický článek
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
Autor: Alice Douangamath, Daren Fearon, Paul Gehrtz, Tobias Krojer, Petra Lukacik, C. David Owen, Efrat Resnick, Claire Strain-Damerell, Anthony Aimon, Péter Ábrányi-Balogh, José Brandão-Neto, Anna Carbery, Gemma Davison, Alexandre Dias, Thomas D. Downes, Louise Dunnett, Michael Fairhead, James D. Firth, S. Paul Jones, Aaron Keeley, György M. Keserü, Hanna F. Klein, Mathew P. Martin, Martin E. M. Noble, Peter O’Brien, Ailsa Powell, Rambabu N. Reddi, Rachael Skyner, Matthew Snee, Michael J. Waring, Conor Wild, Nir London, Frank von Delft, Martin A. Walsh
Publikováno v: Nature Communications, Vol 11, Iss 1, Pp 1-11 (2020)
The SARS-CoV-2 main protease is an important target for the development of COVID-19 therapeutics. Here, the authors combine X-ray crystallography and mass spectrometry and performed a large scale fragment screening campaign, which yielded 96 liganded
Externí odkaz: https://doaj.org/article/d499338758524d99942f9963faf75661
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4
Fragment libraries designed to be functionally diverse recover protein binding information more efficiently than standard structurally diverse libraries
Autor: Anna Carbery, Charlotte Deane, Frank Von Delft, Rachael Elaine Skyner
Current fragment-based drug design relies on the efficient exploration of chemical space though the use of structurally diverse libraries of small fragments. However, structurally dissimilar compounds can exploit the same interactions on a target, an
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62777dcd3bc5c5f237ea9faf9422ce88
https://doi.org/10.1101/2022.03.18.484642
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5
Ribosome occupancy profiles are conserved between structurally and evolutionarily related yeast domains
Autor: Charlotte M. Deane, Anna Carbery, Mark Chonofsky, Daniel A. Nissley
Publikováno v: Bioinformatics
Motivation Protein synthesis is a non-equilibrium process, meaning that the speed of translation can influence the ability of proteins to fold and function. Assuming that structurally similar proteins fold by similar pathways, the profile of translat
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8f1ac98fd4ccea4bbb63bcead5459f6
https://doi.org/10.1093/bioinformatics/btab020
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6
COVID Moonshot: Open Science Discovery of SARS-CoV-2 Main Protease Inhibitors by Combining Crowdsourcing, High-Throughput Experiments, Computational Simulations, and Machine Learning
Autor: Anna Carbery, Annette von Delft, Boris Kovar, Vishwanath Swamy, Ronen Gabizon, Nathan Wright, Charlie Weatherall, Susana Tomasio, Hannah E. Bruce Macdonald, Daniel Zaidmann, Ailsa Powell, P. Gehrtz, Noam Erez, Walter Ward, Vladimir Psenak, Finny S. Varghese, Edward J Griffen, Halina Mikolajek, Sharon Melamed, Emma Cattermole, A. Aimon, Elad Bar-David, Louise Dunnett, Maneesh Pingle, Warren Thompson, Efrat Resnick, William G. Glass, Mark Daniel Calmiano, J. L. Kiappes, Lizbe Koekemoer, Mariana Vaschetto, Andrew Jajack, Nir London, Martin Walsh, Beth MacLean, Charline Giroud, Haim Levy, Anastassia L. Kantsadi, Vladas Oleinikovas, Andrew Thompson, Vincent A. Voelz, Assa Sittner, Tomer Israely, John Spencer, Itai Glinert, Matthew F. D. Hurley, Richard Foster, T.J. Gorrie-Stone, Aarif Shaikh, Gijs J. Overheul, Conor Francis Wild, Michael Fairhead, Benjamin Ian Perry, David Owen, Michelle L. Hill, Peter W. Kenny, Sarma Bvnbs, Galit Cohen, Ralph P. Robinson, Jakir Pinjari, Carina Gileadi, Amir Ben-Shmuel, Shay Weiss, Victor L. Rangel, Matthew C. Robinson, Anthony Tumber, D. Fearon, Jag Paul Heer, Boaz Politi, Nicole Zitzmann, Claire Strain-Damerell, Tika R. Malla, Oleg M. Michurin, Peter K. Eastman, Christopher J. Schofield, Matthew Wittmann, Jin Pan, Eric Jnoff, Shirly Duberstein, Mihaela D. Smilova, Haim Barr, Ronald P. van Rij, Joseph E. Coffland, Garrett M. Morris, Austin Clyde, Khriesto A. Shurrush, Einat B. Vitner, Ruby Pai, Alessandro Contini, St Patrick Reid, Jose Brandao Neto, Lisa Cox, Tatiana Matviiuk, Jiye Shi, Sam Horrell, Ioannis Vakonakis, Aaron Morris, Hadeer Zidane, Juliane Brun, Yfat Yahalom-Ronen, Hadas Tamir, R. Skyner, Tobias John, John D. Chodera, Nir Paran, Alex Dias, Dominic Rufa, Willam McCorkindale, Reut Puni, Hagit Achdout, Rachael Tennant, Holly Foster, Tim Dudgeon, Bruce A. Lefker, Rambabu N. Reddi, Marian V. Gorichko, Frank von Delft, Alpha A. Lee, Milan Cvitkovic, T. Krojer, Demetri Moustakas, Oleg Fedorov, Robert C. Glen, Jason C. Cole, Petra Lukacik, Matteo P. Ferla, Melissa L Bobby, Adam Smalley, Jim Bennett, Melody Jane Morwitzer, Alice Douangamath
Herein we provide a living summary of the data generated during the COVID Moonshot project focused on the development of SARS-CoV-2 main protease (Mpro) inhibitors. Our approach uniquely combines crowdsourced medicinal chemistry insights with high th
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7a6fcaab3434419d1e717fb7391e5b5c
https://doi.org/10.26434/chemrxiv.13158218.v1
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7
Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors
Autor: von Delft F, Ronen Gabizon, Wild Cf, Anastassia L. Kantsadi, Peter W. Kenny, Koekemoer L, Matteo P. Ferla, Noam Erez, Sharon Melamed, Adam Smalley, Gijs J. Overheul, Jag Paul Heer, Shaikh A, Tika R. Malla, R.S. Fernandes, Christopher J. Schofield, Moustakas D, Pai R, MacLean B, T. Krojer, Finny S. Varghese, Elad Bar-David, Hagit Achdout, Gregory R. Bowman, Lefker Ba, Kovar B, Charlie Weatherall, Tennant R, Griffen Ej, Yfat Yahalom-Ronen, Louise Dunnett, Emma Cattermole, Bvnbs S, Chernyshenko E, Ripka Eg, Kim Donckers, Efrat Resnick, Nir Paran, J. L. Kiappes, Einat B. Vitner, Dotson Dl, Mark Daniel Calmiano, Juliane Brun, Victor L. Rangel, Matthew F. D. Hurley, Richard Foster, Garrett M. Morris, Vaschetto M, Austin Clyde, Shay Weiss, Pan J, Nir London, William McCorkindale, Dudgeon T, Martin A. Walsh, Borden B, Haim Barr, John Spencer, Zaidmann D, Alice Douangamath, Robinson Rp, Alexandre Dias, John D. Chodera, Morris A, Marian V. Gorichko, Oleg Fedorov, V.O. Gawriljuk, Petra Lukacik, Puni R, Pinjari J, Shafeev M, Dirk Jochmans, Assa Sittner, T.J. Gorrie-Stone, White Km, Amir Ben-Shmuel, Ioannis Vakonakis, Boaz Politi, Rambabu N. Reddi, Joseph E. Coffland, Itai Glinert, Matthew C. Robinson, Ferrins L, Tomasio S, Alpha A. Lee, Khriesto A. Shurrush, Holly Foster, A. Aimon, Boby Ml, Andrea Volkamer, Alessandro Contini, Voelz, Tobias John, Galit Cohen, A.M. Nakamura, Horrell S, G.D. Noske, Jim Bennett, Oleg M. Michurin, Nicholas A. Wright, Smilova, von Delft A, Ward W, Haim Levy, Tomer Israely, Fate G, McGovern Bl, Anna Carbery, David R. Owen, Zidane H, Cox L, Michael Fairhead, Psenak, Carina Gileadi, Wittmann M, Morwitzer Mj, Solmesky Lj, Anthony Tumber, Robert C. Glen, Eric Jnoff, Reid Sp, Sukrit Singh, Steven De Jonghe, Claire Strain-Damerell, Jason C. Cole, A.J. Powell, Rosales R, Nicole Zitzmann, D. Fearon, Nguyen L, Rodriguez-Guerra J, Shirly Duberstein, Andrew Thompson, Johan Neyts, Benjamin Ian Perry, van Rij Rp, Jose Brandao Neto, William G. Glass, Rufa D, Charline Giroud, Peter Eastman, Hannah E. Bruce Macdonald, Glaucius Oliva, Mark A. Hill, Laura Vangeel, Jiye Shi, Hadas Tamir, R. Skyner, Mikolajek H, Adolfo García-Sastre, Oleinikovas, Pingle M, Henry M, Cvitkovic M, Milne Bf, Hart Sh, Eyermann Cj, Thompson W, Matviiuk T, Andre S. Godoy, Swamy, P. Gehrtz, Jajack A
The COVID-19 pandemic was a stark reminder that a barren global antiviral pipeline has grave humanitarian consequences. Pandemics could be prevented in principle by accessible, easily deployable broad-spectrum oral antivirals. Here we report the resu
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::378b6d7608ebe4f22cf964ef3c0dad99
https://doi.org/10.1101/2020.10.29.339317
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9
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
Autor: Jitske Jansen, Katharina C. Reimer, James S. Nagai, Finny S. Varghese, Gijs J. Overheul, Marit de Beer, Rona Roverts, Deniz Daviran, Liline A.S. Fermin, Brigith Willemsen, Marcel Beukenboom, Sonja Djudjaj, Saskia von Stillfried, Larissa E. van Eijk, Mirjam Mastik, Marian Bulthuis, Wilfred den Dunnen, Harry van Goor, Jan-Luuk Hillebrands, Sergio H. Triana, Theodore Alexandrov, Marie-Cherelle Timm, Bartholomeus T. van den Berge, Martijn van den Broek, Quincy Nlandu, Joelle Heijnert, Eric M.J. Bindels, Remco M. Hoogenboezem, Fieke Mooren, Christoph Kuppe, Pascal Miesen, Katrien Grünberg, Ties Ijzermans, Eric J. Steenbergen, Jan Czogalla, Michiel F. Schreuder, Nico Sommerdijk, Anat Akiva, Peter Boor, Victor G. Puelles, Jürgen Floege, Tobias B. Huber, Ronald P. van Rij, Ivan G. Costa, Rebekka K. Schneider, Bart Smeets, Rafael Kramann, Hagit Achdout, Anthony Aimon, Elad Bar-David, Haim Barr, Amir Ben-Shmuel, James Bennett, Melissa L. Boby, Bruce Borden, Gregory R. Bowman, Juliane Brun, Sarma BVNBS, Mark Calmiano, Anna Carbery, Emma Cattermole, Eugene Chernychenko, John D. Choder, Austin Clyde, Joseph E. Coffland, Galit Cohen, Jason Cole, Alessandro Contini, Lisa Cox, Milan Cvitkovic, Alex Dias, Kim Donckers, David L. Dotson, Alica Douangamath, Shirly Duberstein, Tim Dudgeon, Louise Dunnett, Peter K. Eastman, Noam Erez, Charles J. Eyermann, Mike Fairhead, Gwen Fate, Daren Fearon, Oleg Federov, Matteo Ferla, Rafaela S. Fernandes, Lori Ferrins, Richard Foster, Holly Foster, Ronen Gabizon, Adolfo Garcia-Sastre, Victor O. Gawriljuk, Paul Gehrtz, Carina Gileadi, Charline Giroud, William G. Glass, Robert Glen, null Itai glinert, Andre S. Godoy, Marian Gorichko, Tyler Gorrie-Stone, Ed J. Griffen, Storm Hassell Hart, Jag Heer, Micheal Henry, Michelle Hill, Sam Horrell, Matthew F.D. Hurley, Tomer Israely, Andrew Jajack, Eric Jnoff, Dirk Jochmans, Tobias John, Steven De Jonghe, Anastassia L. Kantsadi, Peter W. Kenny, J.L. Kiappes, Lizbe Koekemoer, Boris Kovar, Tobias Krojer, Alpha A. Lee, Bruce A. Lefker, Haim Levy, Nir London, Petra Lukacik, Hannah Bruce Macdonald, Beth Maclean, Tika R. Malla, Tatiana Matviiuk, Willam McCorkindale, Briana L. McGovern, Sharon Melamed, Oleg Michurin, Halina Mikolajek, Bruce F. Milne, Aaron Morris, Garret M. Morris, Melody Jane Morwitzer, Demetri Moustakas, Aline M. Nakamura, Jose Brandao Neto, Johan Neyts, Luong Nguyen, Gabriela D. Noske, Vladas Oleinikovas, Glaucius Oliva, David Owen, Vladimir Psenak, Ruby Pai, Jin Pan, Nir Paran, Benjamin Perry, Maneesh Pingle, Jakir Pinjari, Boaz Politi, Ailsa Powell, Reut Puni, Victor L. Rangel, Ranbabu N. Reddi, St Patrick Reid, Efrat Resnick, Emily Grace Ripka, Matthew C. Robinson, Ralph P. Robinson, Jaime Rodriguez-Guerra, Romel Rosales, Dominic Rufa, Chris Schofield, Mikhail Shafeev, Aarif Shaikh, Jiye Shi, Khriesto Shurrush, Sukrit Sing, Assa Sittner, Rachael Skyner, Adam Smalley, Mihaela D. Smilova, Leonardo J. Solmesky, John Spencer, Claire Strain-Damarell, Vishwanath Swamy, Hadas Tamir, Rachael Tennant, Warren Thompson, Andrew Thompson, Susana Tomasia, Anthony Tumber, Ioannis Vakonakis, Laura van Geel, Mariana Vaschetto, Einat B. Vitner, Vincent Voelz, Andra Volkamer, Frank von Delft, Annette von Delft, Martin Walsh, Walter Ward, Charlie Weatherall, Shay Weiss, Kris M. White, Conor Francis Wild, Matthew Wittmann, Nathan Wright, Yfat Yahalom-Ronen, Daniel Zaidmann, Hadeer Zidane, Nicole Zitzmann
Publikováno v: Cell Stem Cell, 29, 217-231
Cell Stem Cell, 29(2), 217-231.e8. Cell Press
Cell stem cell, 29(2), 217-231.e8. CELL PRESS
Cell Stem Cell, 29, 2, pp. 217-231
Cell Stem Cell
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Kidney failure is frequently observed during and after COVID-19, but it remains elusive whether this is a direct effect of the virus. Here, we report that SARS-CoV-2 directly infects kidney cells and is associated with increased tubule-interstitial k
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::30090579eb88d0c8a1271dff5c588354
http://www.scopus.com/inward/record.url?scp=85123016842&partnerID=8YFLogxK
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