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1دورية أكاديمية
المؤلفون: Smith, Matthew, Knight, Ian, Kormos, Rian, Pepe, Joseph, Kunach, Peter, Diamond, Marc, Shahmoradian, Sarah, Irwin, John, DeGrado, William, Shoichet, Brian
المصدر: Journal of Chemical Information and Modeling. 64(2)
مصطلحات موضوعية: Prospective Studies, Ligands, Retrospective Studies, Proteins, Molecular Docking Simulation, Protein Binding, Binding Sites
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/6298549tTest
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2دورية أكاديمية
المؤلفون: Chang, Chih-Chieh, Takada, Yoko K, Cheng, Chao-Wen, Maekawa, Yukina, Mori, Seiji, Takada, Yoshikazu
المصدر: Cells. 13(4)
مصطلحات موضوعية: Biochemistry and Cell Biology, Biological Sciences, Cancer, 2.1 Biological and endogenous factors, Aetiology, Underpinning research, 1.1 Normal biological development and functioning, Integrin alphaVbeta3, Mitogens, Ligands, Fibroblast Growth Factor 1, Fibroblast Growth Factor 2, DNA, FGF9, integrin, dominant-negative effect, signaling, FGFR3, mutagenesis, docking simulation, Biological sciences, Biomedical and clinical sciences
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/4m8104vtTest
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3دورية أكاديمية
المؤلفون: Tingle, Benjamin I, Irwin, John J
المصدر: Journal of Chemical Information and Modeling. 63(9)
مصطلحات موضوعية: Molecular Docking Simulation, Proteins, 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/2223q35sTest
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4دورية أكاديمية
المؤلفون: Breznik, Marko, Ge, Yunhui, Bluck, Joseph P, Briem, Hans, Hahn, David F, Christ, Clara D, Mortier, Jérémie, Mobley, David L, Meier, Katharina
المصدر: ChemMedChem. 18(1)
مصطلحات موضوعية: Medicinal and Biomolecular Chemistry, Chemical Sciences, Networking and Information Technology R&D (NITRD), Proteins, Molecular Docking Simulation, Protein Binding, Thermodynamics, Algorithms, Ligands, Molecular Dynamics Simulation, docking, FEP, MMGBSA, drug design, molecular modelling, Organic Chemistry, Pharmacology and Pharmaceutical Sciences, Medicinal & Biomolecular Chemistry, Medicinal and biomolecular chemistry, Organic chemistry
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/0388z2h8Test
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5دورية أكاديمية
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
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6دورية أكاديمية
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
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7دورية أكاديمية
المؤلفون: Zhao, Yizhen, Zhao, Yifan, Xie, Linke, Li, Qian, Zhang, Yuze, Zang, Yongjian, Li, Xuhua, Zhang, Lei, Yang, Zhiwei
المصدر: International Journal of Molecular Sciences. 24(7)
مصطلحات موضوعية: Macromolecular and Materials Chemistry, Medicinal and Biomolecular Chemistry, Chemical Sciences, Pneumonia & Influenza, Infectious Diseases, Biodefense, Vaccine Related, Emerging Infectious Diseases, Prevention, 5.1 Pharmaceuticals, Development of treatments and therapeutic interventions, Good Health and Well Being, Humans, SARS-CoV-2, COVID-19, Molecular Dynamics Simulation, Ligands, Protein Binding, Antiviral Agents, Molecular Docking Simulation, spike trimer, in situ full-length structure, dynamic conformational changes, molecular dynamics simulations, SARS-CoV-2 inhibitors, Other Chemical Sciences, Genetics, Other Biological Sciences, Chemical Physics, Biochemistry and cell biology, Microbiology, Medicinal and biomolecular chemistry
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/3748n3w1Test
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8دورية أكاديمية
المؤلفون: Gan, Jessie Low, Kumar, Dhruv, Chen, Cynthia, Taylor, Bryn C, Jagger, Benjamin R, Amaro, Rommie E, Lee, Christopher T
المصدر: Journal of Computer-Aided Molecular Design. 36(2)
مصطلحات موضوعية: 5.1 Pharmaceuticals, Development of treatments and therapeutic interventions, Benchmarking, Binding Sites, Child, Drug Design, Humans, Ligands, Molecular Docking Simulation, Protein Binding, Protein Conformation, Thermodynamics, Computational biophysics, Ensemble docking, Molecular dynamics, Drug discovery, Restrained docking, Medicinal and Biomolecular Chemistry, Theoretical and Computational Chemistry, Medicinal & Biomolecular Chemistry
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/8333t2h5Test
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9دورية أكاديمية
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
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10دورية أكاديمية
المؤلفون: Shim, Heesung, Kim, Hyojin, Allen, Jonathan E, Wulff, Heike
المصدر: Journal of Chemical Information and Modeling. 62(10)
مصطلحات موضوعية: Medicinal and Biomolecular Chemistry, Chemical Sciences, 5.1 Pharmaceuticals, Development of treatments and therapeutic interventions, Generic health relevance, Ion Channels, Ligands, Molecular Docking Simulation, Neural Networks, Computer, Protein Binding, Theoretical and Computational Chemistry, Computation Theory and Mathematics, Medicinal & Biomolecular Chemistry, Medicinal and biomolecular chemistry, Theoretical and computational chemistry
الوصول الحر: https://escholarship.org/uc/item/3gw7g67qTest