المؤلفون: Godoy, Andre Schutzer, Nakamura, Aline Minalli, Douangamath, Alice, Song, Yun, Noske, Gabriela Dias, Gawriljuk, Victor Oliveira, Fernandes, Rafaela Sachetto, Pereira, Humberto D.Muniz, Oliveira, Ketllyn Irene Zagato, Fearon, Daren, Dias, Alexandre, Krojer, Tobias, Fairhead, Michael, Powell, Alisa, Dunnet, Louise, Brandao-Neto, Jose, Skyner, Rachael, Chalk, Rod, Bajusz, Dávid, Bege, Miklós, Borbás, Anikó, Keseru, György Miklós, Von Delft, Frank, Oliva, Glaucius

المصدر: Nucleic Acids Research. 51(10):5255-5270

مصطلحات موضوعية: Naturvetenskap, Biologi, Biokemi och molekylärbiologi, Natural Sciences, Biological Sciences, Biochemistry and Molecular Biology

URL الوصول: https://lup.lub.lu.se/record/1fce2f7f-e6b9-41ef-a559-02f629d08b01
http://dx.doi.org/10.1093/nar/gkad314

المؤلفون: Gahbauer, Stefan, Correy, Galen J, Schuller, Marion, Ferla, Matteo P, Doruk, Yagmur Umay, Rachman, Moira, Wu, Taiasean, Diolaiti, Morgan, Wang, Siyi, Neitz, R Jeffrey, Fearon, Daren, Radchenko, Dmytro S, Moroz, Yurii S, Irwin, John J, Renslo, Adam R, Taylor, Jenny C, Gestwicki, Jason E, von Delft, Frank, Ashworth, Alan, Ahel, Ivan, Shoichet, Brian K, Fraser, James S

المصدر: Proceedings of the National Academy of Sciences of the United States of America. 120(2)

مصطلحات موضوعية: Theory Of Computation, Biochemistry and Cell Biology, Biological Sciences, Medicinal and Biomolecular Chemistry, Chemical Sciences, Built Environment and Design, Information and Computing Sciences, Design, Emerging Infectious Diseases, Bioengineering, Infectious Diseases, Coronaviruses, 5.1 Pharmaceuticals, Generic health relevance, Humans, SARS-CoV-2, COVID-19, Crystallography, Pandemics, Ligands, Molecular Docking Simulation, Protease Inhibitors, Antiviral Agents, coronavirus, macrodomain, virtual screening, fragment-based drug discovery

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/3qr8j49t
https://escholarship.org/content/qt3qr8j49t/qt3qr8j49t.pdf

المؤلفون: Chenthamarakshan, Vijil, Hoffman, Samuel C., Owen, C. David, Lukacik, Petra, Strain-Damerell, Claire, Fearon, Daren, Malla, Tika R., Tumber, Anthony, Schofield, Christopher J., Duyvesteyn, Helen M. E., Dejnirattisai, Wanwisa, Carrique, Loic, Walter, Thomas S., Screaton, Gavin R., Matviiuk, Tetiana, Mojsilovic, Aleksandra, Crain, Jason, Walsh, Martin A., Stuart, David I., Das, Payel

مصطلحات موضوعية: Quantitative Biology - Quantitative Methods, Computer Science - Machine Learning, Quantitative Biology - Biomolecules, Statistics - Machine Learning

URL الوصول: http://arxiv.org/abs/2204.09042

المؤلفون: Schuller, Marion, Correy, Galen J, Gahbauer, Stefan, Fearon, Daren, Wu, Taiasean, Díaz, Roberto Efraín, Young, Iris D, Carvalho Martins, Luan, Smith, Dominique H, Schulze-Gahmen, Ursula, Owens, Tristan W, Deshpande, Ishan, Merz, Gregory E, Thwin, Aye C, Biel, Justin T, Peters, Jessica K, Moritz, Michelle, Herrera, Nadia, Kratochvil, Huong T, Aimon, Anthony, Bennett, James M, Brandao Neto, Jose, Cohen, Aina E, Dias, Alexandre, Douangamath, Alice, Dunnett, Louise, Fedorov, Oleg, Ferla, Matteo P, Fuchs, Martin R, Gorrie-Stone, Tyler J, Holton, James M, Johnson, Michael G, Krojer, Tobias, Meigs, George, Powell, Ailsa J, Rack, Johannes Gregor Matthias, Rangel, Victor L, Russi, Silvia, Skyner, Rachael E, Smith, Clyde A, Soares, Alexei S, Wierman, Jennifer L, Zhu, Kang, O’Brien, Peter, Jura, Natalia, Ashworth, Alan, Irwin, John J, Thompson, Michael C, Gestwicki, Jason E, von Delft, Frank, Shoichet, Brian K, Fraser, James S, Ahel, Ivan

المصدر: Science Advances. 7(16)

مصطلحات موضوعية: Theory Of Computation, Biochemistry and Cell Biology, Biological Sciences, Medicinal and Biomolecular Chemistry, Chemical Sciences, Information and Computing Sciences, Bioengineering, Coronaviruses, Emerging Infectious Diseases, Infectious Diseases, 5.1 Pharmaceuticals, Catalytic Domain, Crystallography, X-Ray, Humans, Models, Molecular, Molecular Docking Simulation, Protein Binding, Protein Conformation, SARS-CoV-2, Viral Nonstructural Proteins, COVID-19 Drug Treatment, QCRG Structural Biology Consortium

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/9499n6d3
https://escholarship.org/content/qt9499n6d3/qt9499n6d3.pdf

المؤلفون: Fearon, Daren, Powell, Ailsa, Douangamath, Alice, Dias, Alexandre, Tomlinson, Charles W. E., Balcomb, Blake H., Aschenbrenner, Jasmin C., Aimon, Anthony, Barker, Isabel A., Brandão‐Neto, José, Collins, Patrick, Dunnett, Louise E., Fairhead, Michael, Gildea, Richard J., Golding, Mathew, Gorrie‐Stone, Tyler, Hathaway, Paul V., Koekemoer, Lizbé, Krojer, Tobias, Lithgo, Ryan M., Maclean, Elizabeth M., Marples, Peter G., Ni, Xiaomin, Skyner, Rachael, Talon, Romain, Thompson, Warren, Wild, Conor F., Winokan, Max, Wright, Nathan David, Winter, Graeme, Shotton, Elizabeth J., von Delft, Frank

المصدر: Applied Research ; ISSN 2702-4288 2702-4288

الاتاحة: http://dx.doi.org/10.1002/appl.202400192
https://onlinelibrary.wiley.com/doi/pdf/10.1002/appl.202400192

المؤلفون: Schimunek, Johannes, Seidl, Philipp, Elez, Katarina, Hempel, Tim, Le, Tuan, Noé, Frank, Olsson, Simon, Raich, Lluís, Winter, Robin, Gokcan, Hatice, Gusev, Filipp, Gutkin, Evgeny, Isayev, Olexandr, Kurnikova, Maria, Narangoda, Chamali, Zubatyuk, Roman, Bosko, Ivan, Furs, Konstantin, Karpenko, Anna, Kornoushenko, Yury, Shuldau, Mikita, Yushkevich, Artsemi, Benabderrahmane, Mohammed, Bousquet-Melou, Patrick, Bureau, Ronan, Charton, Beatrice, Cirou, Bertrand, Gil, Gérard, Allen, William, Sirimulla, Suman, Watowich, Stanley, Antonopoulos, Nick, Epitropakis, Nikolaos, Krasoulis, Agamemnon, Pitsikalis, Vassilis, Theodorakis, Stavros, Kozlovskii, Igor, Maliutin, Anton, Medvedev, Alexander, Popov, Petr, Zaretckii, Mark, Eghbal-Zadeh, Hamid, Halmich, Christina, Hochreiter, Sepp, Mayr, Andreas, Ruch, Peter, Widrich, Michael, Berenger, Francois, Kumar, Ashutosh, Yamanishi, Yoshihiro, Zhang, Kam, Bengio, Emmanuel, Bengio, Yoshua, Jain, Moksh, Korablyov, Maksym, Liu, Cheng-Hao, Gilles, Marcous, Glaab, Enrico, Barnsley, Kelly, Iyengar, Suhasini, Ondrechen, Mary Jo, Haupt, V. Joachim, Kaiser, Florian, Schroeder, Michael, Pugliese, Luisa, Albani, Simone, Athanasiou, Christina, Beccari, Andrea, Carloni, Paolo, d'Arrigo, Giulia, Gianquinto, Eleonora, Goßen, Jonas, Hanke, Anton, Joseph, Benjamin, Kokh, Daria, Kovachka, Sandra, Manelfi, Candida, Mukherjee, Goutam, Muñiz-Chicharro, Abraham, Musiani, Francesco, Nunes-Alves, Ariane, Paiardi, Giulia, Rossetti, Giulia, Sadiq, S. Kashif, Spyrakis, Francesca, Talarico, Carmine, Tsengenes, Alexandros, Wade, Rebecca, Copeland, Conner, Gaiser, Jeremiah, Olson, Daniel, Roy, Amitava, Venkatraman, Vishwesh, Wheeler, Travis, Arthanari, Haribabu, Blaschitz, Klara, Cespugli, Marco, Durmaz, Vedat, Fackeldey, Konstantin, Fischer, Patrick, Gorgulla, Christoph, Gruber, Christian, Gruber, Karl, Hetmann, Michael, Kinney, Jamie, Das, Krishna, Pandita, Shreya, Singh, Amit, Steinkellner, Georg, Tesseyre, Guilhem, Wagner, Gerhard, Wang, Zi-Fu, Yust, Ryan, Druzhilovskiy, Dmitry, Filimonov, Dmitry, Pogodin, Pavel, Poroikov, Vladimir, Rudik, Anastassia, Stolbov, Leonid, Veselovsky, Alexander, de Rosa, Maria, Simone, Giada De, Gulotta, Maria, Lombino, Jessica, Mekni, Nedra, Perricone, Ugo, Casini, Arturo, Embree, Amanda, Gordon, D. Benjamin, Lei, David, Pratt, Katelin, Voigt, Christopher, Chen, Kuang-Yu, Jacob, Yves, Krischuns, Tim, Lafaye, Pierre, Zettor, Agnès, Rodríguez, M. Luis, White, Kris, Fearon, Daren, von Delft, Frank, Walsh, Martin, Horvath, Dragos, Brooks, Charles, Falsafi, Babak, Ford, Bryan, García-Sastre, Adolfo, Lee, Sang Yup, Naffakh, Nadia, Varnek, Alexandre, Klambauer, Guenter, Hermans, Thomas

المساهمون: Johannes Kepler Universität (JKU), Laboratoire de Photophysique et Photochimie Supramoléculaires et Macromoléculaires (PPSM), École normale supérieure - Cachan (ENS Cachan)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), Freie Universität Berlin, Departament de Quimica Fisica and Institut de Quimica Teorica i Computacional (IQTCUB), Universitat de Barcelona (UB), Carnegie Mellon University Pittsburgh (CMU), Institute for Scintillation Materials of NASU, National Academy of Sciences of Ukraine = Національна академія наук України = Académie nationale des sciences d'Ukraine (NASU / НАН України), Centre d'Etudes et de Recherche sur le Médicament de Normandie (CERMN), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU), CRIANN, Centre de Ressources Informatiques de Haute-Normandie, France (CRIHAN), Biologie des ARN et virus influenza - RNA Biology of Influenza Virus (CNRS-UMR3569), Institut Pasteur Paris (IP)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Génétique moléculaire des virus à ARN, Institut Pasteur Paris (IP)-Centre National de la Recherche Scientifique (CNRS), Ingénierie des Anticorps (plate-forme) - Antibody Engineering (Platform), Criblage chémogénomique et biologique (Plateforme) - Chemogenomic and Biological Screening Platform (PF-CCB), Institut Pasteur Paris (IP)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité)

المصدر: ISSN: 1868-1743.

مصطلحات موضوعية: SARS-Cov2, computational drug discovery, covid-19, [SDV]Life Sciences [q-bio], [CHIM]Chemical Sciences, [INFO]Computer Science [cs]

Relation: info:eu-repo/semantics/altIdentifier/pmid/37833243; pasteur-04269641; https://pasteur.hal.science/pasteur-04269641; https://pasteur.hal.science/pasteur-04269641/document; https://pasteur.hal.science/pasteur-04269641/file/Molecular%20Informatics%20-%202023%20-%20Schimunek%20-%20A%20community%20effort%20in%20SARS%E2%80%90CoV%E2%80%902%20drug%20discovery.pdf; PUBMED: 37833243

الاتاحة: https://pasteur.hal.science/pasteur-04269641
https://pasteur.hal.science/pasteur-04269641/document
https://pasteur.hal.science/pasteur-04269641/file/Molecular%20Informatics%20-%202023%20-%20Schimunek%20-%20A%20community%20effort%20in%20SARS%E2%80%90CoV%E2%80%902%20drug%20discovery.pdf
https://doi.org/10.1002/minf.202300262

المؤلفون: Schuller, Marion, Correy, Galen J, Gahbauer, Stefan, Fearon, Daren, Wu, Taiasean, Díaz, Roberto Efraín, Young, Iris D, Martins, Luan Carvalho, Smith, Dominique H, Schulze-Gahmen, Ursula, Owens, Tristan W, Deshpande, Ishan, Merz, Gregory E, Thwin, Aye C, Biel, Justin T, Peters, Jessica K, Moritz, Michelle, Herrera, Nadia, Kratochvil, Huong T, Consortium, QCRG Structural Biology, Aimon, Anthony, Bennett, James M, Neto, Jose Brandao, Cohen, Aina E, Dias, Alexandre, Douangamath, Alice, Dunnett, Louise, Fedorov, Oleg, Ferla, Matteo P, Fuchs, Martin, Gorrie-Stone, Tyler J, Holton, James M, Johnson, Michael G, Krojer, Tobias, Meigs, George, Powell, Ailsa J, Rack, Johannes Gregor Matthias, Rangel, Victor L, Russi, Silvia, Skyner, Rachael E, Smith, Clyde A, Soares, Alexei S, Wierman, Jennifer L, Zhu, Kang, Jura, Natalia, Ashworth, Alan, Irwin, John, Thompson, Michael C, Gestwicki, Jason E, von Delft, Frank, Shoichet, Brian K, Fraser, James S, Ahel, Ivan

المصدر: bioRxiv. 1(12-02)

مصطلحات موضوعية: Theory Of Computation, Biochemistry and Cell Biology, Biological Sciences, Medicinal and Biomolecular Chemistry, Chemical Sciences, Information and Computing Sciences, Coronaviruses, Emerging Infectious Diseases, Infectious Diseases, 5.1 Pharmaceuticals, QCRG Structural Biology Consortium

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/969314vg
https://escholarship.org/content/qt969314vg/qt969314vg.pdf

المؤلفون: Erlanson, Daniel, Burley, Stephen, Fraser, James, Fearon, Daren, Kreitler, Dale, Nonato, Maria Cristina, Sakai, Naoki, Wollenhaupt, Jan, Weiss, Manfred S

الاتاحة: https://doi.org/10.26434/chemrxiv-2025-hjjnj
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/6776f01081d2151a02b11ce7/original/where-to-house-big-data-on-small-fragments.pdf

المؤلفون: Schwalm, Martin P., Dopfer, Johannes, Kumar, Adarsh, Greco, Francesco A., Bauer, Nicolas, Löhr, Frank, Heering, Jan, Cano-Franco, Sara, Lechner, Severin, Hanke, Thomas, Jaser, Ivana, Morasch, Viktoria, Lenz, Christopher, Fearon, Daren, Marples, Peter G., Tomlinson, Charles W. E., Brunello, Lorene, Saxena, Krishna, Adams, Nathan B. P., von Delft, Frank

المصدر: Nature Communications; 11/25/2024, Vol. 15 Issue 1, p1-15, 15p

مصطلحات موضوعية: MOLECULAR docking, SMALL molecules, DRUG development, CRYSTAL structure, AUTOPHAGY

المؤلفون: Hassell-Hart, Storm, Speranzini, Elisa, Srikwanjai, Sirihathai, Hossack, Euan, Roe, S Mark, Fearon, Daren, Akinbosede, Daniel, Hare, Stephen, Spencer, John

وصف الملف: application/pdf

Relation: http://sro.sussex.ac.uk/id/eprint/108603/1/Synthesis%20of%20a%20Thiazole%20Library%20SHH%20OL.pdf; Hassell-Hart, Storm, Speranzini, Elisa, Srikwanjai, Sirihathai, Hossack, Euan, Roe, S Mark, Fearon, Daren, Akinbosede, Daniel, Hare, Stephen and Spencer, John (2022) Synthesis of a thiazole library via an iridium-catalyzed sulfur ylide insertion reaction. Organic Letters. ISSN 1523-7060

الاتاحة: http://sro.sussex.ac.uk/id/eprint/108603/
http://sro.sussex.ac.uk/id/eprint/108603/1/Synthesis%20of%20a%20Thiazole%20Library%20SHH%20OL.pdf
https://doi.org/10.1021/acs.orglett.2c02996

المؤلفون: Jose, Arathy, Guest, Daniel, LeGay, Remi, Tizzard, Graham J, Coles, Simon J, Derveni, Mariliza, Wright, Edward, Marrison, Lester, Lee, Alpha A, Morris, Aaron, Robinson, Matt, Delft, Frank, Fearon, Daren, Koekemoer, Lizbé, Matviuk, Tetiana, Aimon, Anthony, Schofield, Christopher J, Malla, Tika R, London, Nir, Greenland, Barnaby W, Bagley, Mark C, Spencer, John, The Covid Moonshot Consortium

وصف الملف: application/pdf

Relation: http://sro.sussex.ac.uk/id/eprint/104514/1/ChemMedChem%20-%202022%20-%20Jose%20-%20Expanding%20the%20Repertoire%20of%20LowMolecularWeight%20PentafluorosulfanylSubstituted%20Scaffolds.pdf; Jose, Arathy, Guest, Daniel, LeGay, Remi, Tizzard, Graham J, Coles, Simon J, Derveni, Mariliza, Wright, Edward, Marrison, Lester, Lee, Alpha A, Morris, Aaron, Robinson, Matt, Delft, Frank, Fearon, Daren, Koekemoer, Lizbé, Matviuk, Tetiana, Aimon, Anthony, Schofield, Christopher J, Malla, Tika R, London, Nir, Greenland, Barnaby W, Bagley, Mark C, Spencer, John and The Covid Moonshot Consortium, (2022) Expanding the repertoire of low‐molecular‐weight pentafluorosulfanyl‐substituted scaffolds. ChemMedChem. a202100641 1-12. ISSN 1860-7179

الاتاحة: http://sro.sussex.ac.uk/id/eprint/104514/
http://sro.sussex.ac.uk/id/eprint/104514/1/ChemMedChem%20-%202022%20-%20Jose%20-%20Expanding%20the%20Repertoire%20of%20LowMolecularWeight%20PentafluorosulfanylSubstituted%20Scaffolds.pdf
https://doi.org/10.1002/cmdc.202100641

المؤلفون: Osipov, Evgenii M., Munawar, Ali H., Beelen, Steven, Fearon, Daren, Douangamath, Alice, Wild, Conor, Weeks, Stephen D., Van Aerschot, Arthur, von Delft, Frank, Strelkov, Sergei V.

المساهمون: KU Leuven, Fonds Wetenschappelijk Onderzoek, Horizon 2020

المصدر: RSC Chemical Biology ; volume 3, issue 8, page 1013-1027 ; ISSN 2633-0679

الاتاحة: http://dx.doi.org/10.1039/d2cb00052k
http://pubs.rsc.org/en/content/articlepdf/2022/CB/D2CB00052K

المؤلفون: Bajusz, Dávid, Wade, Warren S., Satała, Grzegorz, Bojarski, Andrzej J., Ilaš, Janez, Ebner, Jessica, Grebien, Florian, Papp, Henrietta, Jakab, Ferenc, Douangamath, Alice, Fearon, Daren, von Delft, Frank, Schuller, Marion, Ahel, Ivan, Wakefield, Amanda, Vajda, Sándor, Gerencsér, János, Pallai, Péter, Keserű, György M.

المصدر: Nature Communications ; volume 12, issue 1 ; ISSN 2041-1723

الاتاحة: http://dx.doi.org/10.1038/s41467-021-23443-y
https://www.nature.com/articles/s41467-021-23443-y.pdf
https://www.nature.com/articles/s41467-021-23443-y

المؤلفون: Redhead, Martin A., Owen, C. David, Brewitz, Lennart, Collette, Amelia H., Lukacik, Petra, Strain-Damerell, Claire, Robinson, Sean W., Collins, Patrick M., Schäfer, Philipp, Swindells, Mark, Radoux, Chris J., Hopkins, Iva Navratilova, Fearon, Daren, Douangamath, Alice, von Delft, Frank, Malla, Tika R., Vangeel, Laura, Vercruysse, Thomas, Thibaut, Jan, Leyssen, Pieter, Nguyen, Tu-Trinh, Hull, Mitchell, Tumber, Anthony, Hallett, David J., Schofield, Christopher J., Stuart, David I., Hopkins, Andrew L., Walsh, Martin A.

المساهمون: Exscientia ltd, Diamond MX group, Hercules Foundation, Rega Foundation, Bill and Melinda Gates Foundation

المصدر: Scientific Reports ; volume 11, issue 1 ; ISSN 2045-2322

الاتاحة: http://dx.doi.org/10.1038/s41598-021-92416-4
https://www.nature.com/articles/s41598-021-92416-4.pdf
https://www.nature.com/articles/s41598-021-92416-4

المؤلفون: Redhead, Martin A., Owen, C. David, Brewitz, Lennart, Collette, Amelia H., Lukacik, Petra, Strain-Damerell, Claire, Robinson, Sean W., Collins, Patrick M., Schäfer, Philipp, Swindells, Mark, Radoux, Chris J., Hopkins, Iva Navratilova, Fearon, Daren, Douangamath, Alice, von Delft, Frank, Malla, Tika R., Vangeel, Laura, Vercruysse, Thomas, Thibaut, Jan, Leyssen, Pieter, Nguyen, Tu-Trinh, Hull, Mitchell, Tumber, Anthony, Hallett, David J., Schofield, Christopher J., Stuart, David I., Hopkins, Andrew L., Walsh, Martin A.

المصدر: Scientific Reports ; volume 11, issue 1 ; ISSN 2045-2322

الاتاحة: https://doi.org/10.1038/s41598-021-99041-1
https://www.nature.com/articles/s41598-021-99041-1.pdf
https://www.nature.com/articles/s41598-021-99041-1

المؤلفون: Newman, Joseph A., Douangamath, Alice, Yadzani, Setayesh, Yosaatmadja, Yuliana, Aimon, Antony, Brandão-Neto, José, Dunnett, Louise, Gorrie-stone, Tyler, Skyner, Rachael, Fearon, Daren, Schapira, Matthieu, von Delft, Frank, Gileadi, Opher

المساهمون: Wellcome Trust, Innovative Medicines Initiative

المصدر: Nature Communications ; volume 12, issue 1 ; ISSN 2041-1723

الاتاحة: http://dx.doi.org/10.1038/s41467-021-25166-6
https://www.nature.com/articles/s41467-021-25166-6.pdf
https://www.nature.com/articles/s41467-021-25166-6

المؤلفون: Zaidman, Daniel, Gehrtz, Paul, Filep, Mihajlo, Fearon, Daren, Gabizon, Ronen, Douangamath, Alice, Prilusky, Jaime, Duberstein, Shirly, Cohen, Galit, Owen, C. David, Resnick, Efrat, Strain-Damerell, Claire, Lukacik, Petra, Barr, Haim, Walsh, Martin A., von Delft, Frank, London, Nir

المصدر: Cell Chemical Biology ; volume 28, issue 12, page 1795-1806.e5 ; ISSN 2451-9456

الاتاحة: http://dx.doi.org/10.1016/j.chembiol.2021.05.018
https://api.elsevier.com/content/article/PII:S2451945621002634?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S2451945621002634?httpAccept=text/plain

المؤلفون: King, Oliver, N. F., Sanchez-Weatherby, Juan, Sandy, James, Fearon, Daren, Tomlinson, Charlie, Levik, Karl, E., Marples, Peter, Barker, Isabel, Dias, Alexandre, Basham, Mark

Relation: https://doi.org/10.1101/2024.05.22.595345; https://doi.org/10.5281/zenodo.11110372; https://doi.org/10.5281/zenodo.11110373; oai:zenodo.org:11110373

الاتاحة: https://doi.org/10.5281/zenodo.11110373

المؤلفون: Douangamath, Alice, Fearon, Daren, Gehrtz, Paul, Krojer, Tobias, Lukacik, Petra, Owen, C. David, Resnick, Efrat, Strain-Damerell, Claire, Aimon, Anthony, Ábrányi-Balogh, Péter, Brandão-Neto, José, Carbery, Anna, Davison, Gemma, Dias, Alexandre, Downes, Thomas D., Dunnett, Louise, Fairhead, Michael, Firth, James D., Jones, S. Paul, Keeley, Aaron, Keserü, György M., Klein, Hanna F., Martin, Mathew P., Noble, Martin E.M., O’Brien, Peter, Powell, Ailsa, Reddi, Rambabu N., Skyner, Rachael, Snee, Matthew, Waring, Michael J., Wild, Conor, London, Nir, von Delft, Frank, Walsh, Martin A.

وصف الملف: text

Relation: https://eprints.whiterose.ac.uk/167993/1/s41467_020_18709_w.pdf; Douangamath, Alice, Fearon, Daren, Gehrtz, Paul et al. (31 more authors) (2020) Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nature Communications. 5047. ISSN 2041-1723

الاتاحة: https://eprints.whiterose.ac.uk/167993/
https://eprints.whiterose.ac.uk/167993/1/s41467_020_18709_w.pdf
https://doi.org/10.1038/s41467-020-18709-w

المؤلفون: Boby, Melissa L, Fearon, Daren, Ferla, Matteo, Filep, Mihajlo, Koekemoer, Lizbé, Robinson, Matthew C, Chodera, John D, Lee, Alpha A, London, Nir, von Delft, Annette, von Delft, Frank, Achdout, Hagit, Aimon, Anthony, Alonzi, Dominic S, Arbon, Robert, Aschenbrenner, Jasmin C, Balcomb, Blake H, Bar-David, Elad, Barr, Haim, Ben-Shmuel, Amir, Bennett, James, Bilenko, Vitaliy A, Borden, Bruce, Boulet, Pascale, Bowman, Gregory R, Brewitz, Lennart, Brun, Juliane, Bvnbs, Sarma, Calmiano, Mark, Carbery, Anna, Carney, Daniel W, Cattermole, Emma, Chang, Edcon, Chernyshenko, Eugene, Clyde, Austin, Coffland, Joseph E, Cohen, Galit, Cole, Jason C, Contini, Alessandro, Cox, Lisa, Croll, Tristan Ian, Cvitkovic, Milan, De Jonghe, Steven, Dias, Alex, Donckers, Kim, Dotson, David L, Douangamath, Alice, Duberstein, Shirly, Dudgeon, Tim, Dunnett, Louise E, Eastman, Peter, Erez, Noam, Eyermann, Charles J, Fairhead, Michael, Fate, Gwen, Fedorov, Oleg, Fernandes, Rafaela S, Ferrins, Lori, Foster, Richard, Foster, Holly, Fraisse, Laurent, Gabizon, Ronen, García-Sastre, Adolfo, Gawriljuk, Victor O, Gehrtz, Paul, Gileadi, Carina, Giroud, Charline, Glass, William G, Glen, Robert C, Glinert, Itai, Godoy, Andre S, Gorichko, Marian, Gorrie-Stone, Tyler, Griffen, Ed J, Haneef, Amna, Hassell Hart, Storm, Heer, Jag, Henry, Michael, Hill, Michelle, Horrell, Sam, Huang, Qiu Yu Judy, Huliak, Victor D, Hurley, Matthew F D, Israely, Tomer, Jajack, Andrew, Jansen, Jitske, Jnoff, Eric, Jochmans, Dirk, John, Tobias, Kaminow, Benjamin, Kang, Lulu, Kantsadi, Anastassia L, Kenny, Peter W, Kiappes, J L, Kinakh, Serhii O, Kovar, Boris, Krojer, Tobias, La, Van Ngoc Thuy, Laghnimi-Hahn, Sophie, Lefker, Bruce A, Levy, Haim, Lithgo, Ryan M, Logvinenko, Ivan G, Lukacik, Petra, Macdonald, Hannah Bruce, MacLean, Elizabeth M, Makower, Laetitia L, Malla, Tika R, Marples, Peter G, Matviiuk, Tatiana, McCorkindale, Willam, McGovern, Briana L, Melamed, Sharon, Melnykov, Kostiantyn P, Michurin, Oleg, Miesen, Pascal, Mikolajek, Halina, Milne, Bruce F, Minh, David, Morris, Aaron, Morris, Garrett M, Morwitzer, Melody Jane, Moustakas, Demetri, Mowbray, Charles E, Nakamura, Aline M, Neto, Jose Brandao, Neyts, Johan, Nguyen, Luong, Noske, Gabriela D, Oleinikovas, Vladas, Oliva, Glaucius, Overheul, Gijs J, Owen, C David, Pai, Ruby, Pan, Jin, Paran, Nir, Payne, Alexander Matthew, Perry, Benjamin, Pingle, Maneesh, Pinjari, Jakir, Politi, Boaz, Powell, Ailsa, Pšenák, Vladimír, Pulido, Iván, Puni, Reut, Rangel, Victor L, Reddi, Rambabu N, Rees, Paul, Reid, St Patrick, Reid, Lauren, Resnick, Efrat, Ripka, Emily Grace, Robinson, Ralph P, Rodriguez-Guerra, Jaime, Rosales, Romel, Rufa, Dominic A, Saar, Kadi, Saikatendu, Kumar Singh, Salah, Eidarus, Schaller, David, Scheen, Jenke, Schiffer, Celia A, Schofield, Christopher J, Shafeev, Mikhail, Shaikh, Aarif, Shaqra, Ala M, Shi, Jiye, Shurrush, Khriesto, Singh, Sukrit, Sittner, Assa, Sjö, Peter, Skyner, Rachael, Smalley, Adam, Smeets, Bart, Smilova, Mihaela D, Solmesky, Leonardo J, Spencer, John, Strain-Damerell, Claire, Swamy, Vishwanath, Tamir, Hadas, Taylor, Jenny C, Tennant, Rachael E, Thompson, Warren, Thompson, Andrew, Tomásio, Susana, Tomlinson, Charles W E, Tsurupa, Igor S, Tumber, Anthony, Vakonakis, Ioannis, van Rij, Ronald P, Vangeel, Laura, Varghese, Finny S, Vaschetto, Mariana, Vitner, Einat B, Voelz, Vincent, Volkamer, Andrea, Walsh, Martin A, Ward, Walter, Weatherall, Charlie, Weiss, Shay, White, Kris M, Wild, Conor Francis, Witt, Karolina D, Wittmann, Matthew, Wright, Nathan, Yahalom-Ronen, Yfat, Yilmaz, Nese Kurt, Zaidmann, Daniel, Zhang, Ivy, Zidane, Hadeer, Zitzmann, Nicole, Zvornicanin, Sarah N

المساهمون: Biochemistry and Molecular Biotechnology, Morningside Graduate School of Biomedical Sciences, Schiffer Lab, Qiu Yu Judy Huang

المصدر: Science (New York, N.Y.) ; 382 ; 6671 ; eabo7201 ; United States

Relation: Science; https://doi.org/10.1126/science.abo7201; Boby ML, Fearon D, Ferla M, Filep M, Koekemoer L, Robinson MC; COVID Moonshot Consortium‡; Chodera JD, Lee AA, London N, von Delft A, von Delft F, Achdout H, Aimon A, Alonzi DS, Arbon R, Aschenbrenner JC, Balcomb BH, Bar-David E, Barr H, Ben-Shmuel A, Bennett J, Bilenko VA, Borden B, Boulet P, Bowman GR, Brewitz L, Brun J, Bvnbs S, Calmiano M, Carbery A, Carney DW, Cattermole E, Chang E, Chernyshenko E, Clyde A, Coffland JE, Cohen G, Cole JC, Contini A, Cox L, Croll TI, Cvitkovic M, De Jonghe S, Dias A, Donckers K, Dotson DL, Douangamath A, Duberstein S, Dudgeon T, Dunnett LE, Eastman P, Erez N, Eyermann CJ, Fairhead M, Fate G, Fedorov O, Fernandes RS, Ferrins L, Foster R, Foster H, Fraisse L, Gabizon R, García-Sastre A, Gawriljuk VO, Gehrtz P, Gileadi C, Giroud C, Glass WG, Glen RC, Glinert I, Godoy AS, Gorichko M, Gorrie-Stone T, Griffen EJ, Haneef A, Hassell Hart S, Heer J, Henry M, Hill M, Horrell S, Huang QYJ, Huliak VD, Hurley MFD, Israely T, Jajack A, Jansen J, Jnoff E, Jochmans D, John T, Kaminow B, Kang L, Kantsadi AL, Kenny PW, Kiappes JL, Kinakh SO, Kovar B, Krojer T, La VNT, Laghnimi-Hahn S, Lefker BA, Levy H, Lithgo RM, Logvinenko IG, Lukacik P, Macdonald HB, MacLean EM, Makower LL, Malla TR, Marples PG, Matviiuk T, McCorkindale W, McGovern BL, Melamed S, Melnykov KP, Michurin O, Miesen P, Mikolajek H, Milne BF, Minh D, Morris A, Morris GM, Morwitzer MJ, Moustakas D, Mowbray CE, Nakamura AM, Neto JB, Neyts J, Nguyen L, Noske GD, Oleinikovas V, Oliva G, Overheul GJ, Owen CD, Pai R, Pan J, Paran N, Payne AM, Perry B, Pingle M, Pinjari J, Politi B, Powell A, Pšenák V, Pulido I, Puni R, Rangel VL, Reddi RN, Rees P, Reid SP, Reid L, Resnick E, Ripka EG, Robinson RP, Rodriguez-Guerra J, Rosales R, Rufa DA, Saar K, Saikatendu KS, Salah E, Schaller D, Scheen J, Schiffer CA, Schofield CJ, Shafeev M, Shaikh A, Shaqra AM, Shi J, Shurrush K, Singh S, Sittner A, Sjö P, Skyner R, Smalley A, Smeets B, Smilova MD, Solmesky LJ, Spencer J, Strain-Damerell C, Swamy V, Tamir H, Taylor JC, Tennant RE, Thompson W, Thompson A, Tomásio S, Tomlinson CWE, Tsurupa IS, Tumber A, Vakonakis I, van Rij RP, Vangeel L, Varghese FS, Vaschetto M, Vitner EB, Voelz V, Volkamer A, Walsh MA, Ward W, Weatherall C, Weiss S, White KM, Wild CF, Witt KD, Wittmann M, Wright N, Yahalom-Ronen Y, Yilmaz NK, Zaidmann D, Zhang I, Zidane H, Zitzmann N, Zvornicanin SN. Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science. 2023 Nov 10;382(6671):eabo7201. doi:10.1126/science.abo7201. Epub 2023 Nov 10. PMID: 37943932.; http://hdl.handle.net/20.500.14038/52849; Science (New York, N.Y.)

الاتاحة: https://doi.org/10.1126/science.abo7201
https://hdl.handle.net/20.500.14038/52849