المؤلفون: Fink, Elissa A, Bardine, Conner, Gahbauer, Stefan, Singh, Isha, Detomasi, Tyler C, White, Kris, Gu, Shuo, Wan, Xiaobo, Chen, Jun, Ary, Beatrice, Glenn, Isabella, O'Connell, Joseph, O'Donnell, Henry, Fajtová, Pavla, Lyu, Jiankun, Vigneron, Seth, Young, Nicholas J, Kondratov, Ivan S, Alisoltani, Arghavan, Simons, Lacy M, Lorenzo‐Redondo, Ramon, Ozer, Egon A, Hultquist, Judd F, O'Donoghue, Anthony J, Moroz, Yurii S, Taunton, Jack, Renslo, Adam R, Irwin, John J, García‐Sastre, Adolfo, Shoichet, Brian K, Craik, Charles S

المصدر: Protein Science. 32(8)

مصطلحات موضوعية: Medicinal and Biomolecular Chemistry, Chemical Sciences, Lung, Prevention, Emerging Infectious Diseases, Infectious Diseases, Vaccine Related, Biodefense, Development of treatments and therapeutic interventions, 5.1 Pharmaceuticals, Infection, Good Health and Well Being, Humans, COVID-19, SARS-CoV-2, Pandemics, Protease Inhibitors, Molecular Docking Simulation, Viral Nonstructural Proteins, Antiviral Agents, major protease, SARS-COV-2, structure-based inhibitor, discoverydockinganti-viral, Biochemistry and Cell Biology, Computation Theory and Mathematics, Other Information and Computing Sciences, Biophysics, Biochemistry and cell biology, Medicinal and biomolecular chemistry

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/61h336z6Test

المؤلفون: Singh, Isha, Li, Fengling, Fink, Elissa A, Chau, Irene, Li, Alice, Rodriguez-Hernández, Annía, Glenn, Isabella, Zapatero-Belinchón, Francisco J, Rodriguez, M Luis, Devkota, Kanchan, Deng, Zhijie, White, Kris, Wan, Xiaobo, Tolmachova, Nataliya A, Moroz, Yurii S, Kaniskan, H Ümit, Ott, Melanie, García-Sastre, Adolfo, Jin, Jian, Fujimori, Danica Galonić, Irwin, John J, Vedadi, Masoud, Shoichet, Brian K

المصدر: Journal of Medicinal Chemistry. 66(12)

مصطلحات موضوعية: Medicinal and Biomolecular Chemistry, Chemical Sciences, Emerging Infectious Diseases, Infectious Diseases, Humans, Methyltransferases, SARS-CoV-2, Viral Nonstructural Proteins, COVID-19, RNA, Viral, Exoribonucleases, Organic Chemistry, Pharmacology and Pharmaceutical Sciences, Medicinal & Biomolecular Chemistry, Pharmacology and pharmaceutical sciences, Medicinal and biomolecular chemistry, Organic chemistry

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/9th7x7gcTest
https://escholarship.org/content/qt9th7x7gc/qt9th7x7gc.pdfTest

المؤلفون: Tingle, Benjamin I, Tang, Khanh G, Castanon, Mar, Gutierrez, John J, Khurelbaatar, Munkhzul, Dandarchuluun, Chinzorig, Moroz, Yurii S, Irwin, John J

المصدر: Journal of Chemical Information and Modeling. 63(4)

مصطلحات موضوعية: Medicinal and Biomolecular Chemistry, Chemical Sciences, Ligands, Databases, Factual, Molecular Conformation, Molecular Docking Simulation, Zinc, Theoretical and Computational Chemistry, Computation Theory and Mathematics, Medicinal & Biomolecular Chemistry, Medicinal and biomolecular chemistry, Theoretical and computational chemistry

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/2tp4t4m5Test

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, Vaccine Related, Biodefense, Prevention, Lung, Infectious Diseases, Pneumonia & Influenza, Development of treatments and therapeutic interventions, 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

الوصول الحر: https://escholarship.org/uc/item/3qr8j49tTest

المؤلفون: Fink, Elissa A, Xu, Jun, Hübner, Harald, Braz, Joao M, Seemann, Philipp, Avet, Charlotte, Craik, Veronica, Weikert, Dorothee, Schmidt, Maximilian F, Webb, Chase M, Tolmachova, Nataliya A, Moroz, Yurii S, Huang, Xi-Ping, Kalyanaraman, Chakrapani, Gahbauer, Stefan, Chen, Geng, Liu, Zheng, Jacobson, Matthew P, Irwin, John J, Bouvier, Michel, Du, Yang, Shoichet, Brian K, Basbaum, Allan I, Gmeiner, Peter

المصدر: Science. 377(6614)

مصطلحات موضوعية: Adrenergic alpha-2 Receptor Agonists, Analgesics, Non-Narcotic, Animals, Dexmedetomidine, Drug Design, Drug Discovery, Humans, Ligands, Mice, Molecular Docking Simulation, Pain, Pain Management, Structure-Activity Relationship, Neurosciences, Pain Research, Chronic Pain, General Science & Technology

الوصول الحر: https://escholarship.org/uc/item/6r0990sdTest

المؤلفون: Hernandez-Olmos, Victor, Heering, Jan, Marinescu, Beatrice, Schermeng, Tina, Ivanov, Vladimir V., Moroz, Yurii S., Nevermann, Sheila, Mathes, Marius, Ehrler, Johanna H. M., Alnouri, Mohamad Wessam, Wolf, Markus, Haydo, Alicia S., Schmachtel, Tessa, Zaliani, Andrea, Höfner, Georg, Kaiser, Astrid, Schubert-Zsilavecz, Manfred, Beck-Sickinger, Annette G., Offermanns, Stefan, Gribbon, Philipp, Rieger, Michael A., Merk, Daniel, Sisignano, Marco, Steinhilber, Dieter, Proschak, Ewgenij

المساهمون: McGill University, Kungliga Tekniska H?gskolan, Diamond Light Source, Deutsche Forschungsgemeinschaft, Horizon 2020 Framework Programme, European Federation of Pharmaceutical Industries and Associations, Ontario Institute for Cancer Research, Landes-Offensive zur Entwicklung Wissenschaftlich-?konomischer Exzellenz, Fraunhofer Leistungszentrum Innovative Therapeutics

المصدر: Journal of Medicinal Chemistry ; ISSN 0022-2623 1520-4804

الإتاحة: https://doi.org/10.1021/acs.jmedchem.3c02164Test

المؤلفون: Alon, Assaf, Lyu, Jiankun, Braz, Joao M, Tummino, Tia A, Craik, Veronica, O’Meara, Matthew J, Webb, Chase M, Radchenko, Dmytro S, Moroz, Yurii S, Huang, Xi-Ping, Liu, Yongfeng, Roth, Bryan L, Irwin, John J, Basbaum, Allan I, Shoichet, Brian K, Kruse, Andrew C

المصدر: Nature. 600(7890)

مصطلحات موضوعية: Peripheral Neuropathy, Pain Research, Chronic Pain, Neurosciences, Neurodegenerative, Development of treatments and therapeutic interventions, 5.1 Pharmaceuticals, Animals, Ligands, Mice, Neuralgia, Receptors, sigma, Structure-Activity Relationship, General Science & Technology

الوصول الحر: https://escholarship.org/uc/item/9gp7838kTest

المؤلفون: Irwin, John J, Tang, Khanh G, Young, Jennifer, Dandarchuluun, Chinzorig, Wong, Benjamin R, Khurelbaatar, Munkhzul, Moroz, Yurii S, Mayfield, John, Sayle, Roger A

المصدر: Journal of Chemical Information and Modeling. 60(12)

مصطلحات موضوعية: Generic health relevance, Databases, Chemical, Databases, Factual, Ligands, Medicinal and Biomolecular Chemistry, Theoretical and Computational Chemistry, Computation Theory and Mathematics, Medicinal & Biomolecular Chemistry

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/0x7507b3Test

المؤلفون: Stein, Reed M, Kang, Hye Jin, McCorvy, John D, Glatfelter, Grant C, Jones, Anthony J, Che, Tao, Slocum, Samuel, Huang, Xi-Ping, Savych, Olena, Moroz, Yurii S, Stauch, Benjamin, Johansson, Linda C, Cherezov, Vadim, Kenakin, Terry, Irwin, John J, Shoichet, Brian K, Roth, Bryan L, Dubocovich, Margarita L

المصدر: Nature. 579(7800)

مصطلحات موضوعية: Sleep Research, Neurosciences, Underpinning research, 1.1 Normal biological development and functioning, Animals, Circadian Rhythm, Darkness, Drug Evaluation, Preclinical, Drug Inverse Agonism, Female, Humans, Ligands, Light, Male, Mice, Mice, Knockout, Molecular Docking Simulation, Receptor, Melatonin, MT1, Receptor, Melatonin, MT2, Receptors, Melatonin, Small Molecule Libraries, Substrate Specificity, General Science & Technology

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/3sp0d3rwTest

المؤلفون: Lyu, Jiankun, Wang, Sheng, Balius, Trent E, Singh, Isha, Levit, Anat, Moroz, Yurii S, O’Meara, Matthew J, Che, Tao, Algaa, Enkhjargal, Tolmachova, Kateryna, Tolmachev, Andrey A, Shoichet, Brian K, Roth, Bryan L, Irwin, John J

المصدر: Nature. 566(7743)

مصطلحات موضوعية: Theory Of Computation, Medicinal and Biomolecular Chemistry, Chemical Sciences, Built Environment and Design, Information and Computing Sciences, Design, Neurosciences, Development of treatments and therapeutic interventions, 5.1 Pharmaceuticals, Bacterial Proteins, Crystallography, X-Ray, Dopamine Agonists, Humans, Ligands, Machine Learning, Molecular Docking Simulation, Observation, Receptors, Dopamine D4, Small Molecule Libraries, beta-Lactamase Inhibitors, beta-Lactamases, General Science & Technology

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/2k01p3zcTest