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1دورية 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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2دورية أكاديمية
المؤلفون: Sevrioukova, Irina
المصدر: International Journal of Molecular Sciences. 22(11)
مصطلحات موضوعية: CYP3A7, crystal structure, cytochrome P450, protein conformation, protein plasticity, surface mutant, Amino Acid Sequence, Amino Acids, Binding Sites, Catalysis, Catalytic Domain, Cytochrome P-450 CYP3A, Humans, Ligands, Molecular Conformation, Molecular Docking Simulation, Molecular Dynamics Simulation, Molecular Structure, Mutation, Polymorphism, Genetic, Protein Binding, Structure-Activity Relationship, Substrate Specificity
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/62r8321wTest
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3دورية أكاديمية
المؤلفون: Vishma Pratap Sur, Aninda Mazumdar, Vladimir Vimberg, Tommaso Stefani, Ladislav Androvic, Lucie Kracikova, Richard Laga, Zdenek Kamenik, Katerina Komrskova
المصدر: International Journal of Molecular Sciences, Vol 23, Iss 1, p 97 (2021)
مصطلحات موضوعية: antibiotic resistance, benzimidazole, docking, Enterococcus faecium, ligands, lipoglycopeptide antibiotic, Biology (General), QH301-705.5, Chemistry, QD1-999
وصف الملف: electronic resource
العلاقة: https://www.mdpi.com/1422-0067/23/1/97Test; https://doaj.org/toc/1661-6596Test; https://doaj.org/toc/1422-0067Test
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المؤلفون: Jacob Spiegel, Hanoch Senderowitz
المصدر: International Journal of Molecular Sciences, Vol 23, Iss 43, p 43 (2022)
International Journal of Molecular Sciences; Volume 23; Issue 1; Pages: 43
International Journal of Molecular Sciencesمصطلحات موضوعية: enrichment optimization algorithm, QH301-705.5, Drug Evaluation, Preclinical, Quantitative Structure-Activity Relationship, Ligands, Article, Catalysis, Inorganic Chemistry, Glide, Humans, GOLD, Physical and Theoretical Chemistry, Biology (General), AutoDock Vina, Molecular Biology, QD1-999, Spectroscopy, docking, virtual screening, QSAR, Organic Chemistry, General Medicine, Computer Science Applications, Molecular Docking Simulation, Chemistry, Pharmaceutical Preparations, ROC Curve, Area Under Curve, Acetylcholinesterase, Linear Models, Algorithms
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f3c9cde8c1494109447b2d5c765a14adTest
https://www.mdpi.com/1422-0067/23/1/43Test -
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المؤلفون: Vishma Pratap Sur, Aninda Mazumdar, Vladimir Vimberg, Tommaso Stefani, Ladislav Androvic, Lucie Kracikova, Richard Laga, Zdenek Kamenik, Katerina Komrskova
المصدر: International Journal of Molecular Sciences, Vol 23, Iss 97, p 97 (2022)
International Journal of Molecular Sciences; Volume 23; Issue 1; Pages: 97
International Journal of Molecular Sciencesمصطلحات موضوعية: Staphylococcus aureus, antibiotic resistance, QH301-705.5, Enterococcus faecium, Microbial Sensitivity Tests, Gram-Positive Bacteria, Article, Catalysis, benzimidazole, Inorganic Chemistry, Bacterial Proteins, Vancomycin, Drug Resistance, Bacterial, Humans, Physical and Theoretical Chemistry, Biology (General), Molecular Biology, QD1-999, Gram-Positive Bacterial Infections, Spectroscopy, docking, ligands, lipoglycopeptide antibiotic, MD simulation, teicoplanin VanZ, Organic Chemistry, Lipoglycopeptides, General Medicine, biochemical phenomena, metabolism, and nutrition, Anti-Bacterial Agents, Computer Science Applications, Molecular Docking Simulation, Chemistry, bacteria, Teicoplanin
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc49550355f91feee017d70d8f2b602fTest
https://www.mdpi.com/1422-0067/23/1/97Test -
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المؤلفون: Ekaterina A. Litus, Alexey S. Kazakov, Evgenia I. Deryusheva, Ekaterina L. Nemashkalova, Marina P. Shevelyova, Andrey V. Machulin, Aliya A. Nazipova, Maria E. Permyakova, Vladimir N. Uversky, Sergei E. Permyakov
المصدر: International Journal of Molecular Sciences; Volume 23; Issue 11; Pages: 6168
مصطلحات موضوعية: Amyloid beta-Peptides, Organic Chemistry, Alzheimer’s disease, amyloid-β peptide, human serum albumin, ibuprofen, surface plasmon resonance, Aβ fibrillation, electron microscopy, molecular docking, Ibuprofen, Serum Albumin, Human, General Medicine, Ligands, Catalysis, Peptide Fragments, Computer Science Applications, Inorganic Chemistry, body regions, Molecular Docking Simulation, Mice, Alzheimer Disease, embryonic structures, Animals, Physical and Theoretical Chemistry, Molecular Biology, Spectroscopy, Serum Albumin
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c770a9944533ba9732c810220185249fTest
https://pubmed.ncbi.nlm.nih.gov/35682848Test -
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المؤلفون: Marina Miñarro-Lleonar, Sergio Ruiz-Carmona, Daniel Alvarez-Garcia, Peter Schmidtke, Xavier Barril
المصدر: International Journal of Molecular Sciences; Volume 23; Issue 9; Pages: 4756
مصطلحات موضوعية: Disseny de medicaments, Binding Sites, Protein Conformation, docking, D3R, automated pipeline, pocket detection, binding mode prediction, Organic Chemistry, Ligands (Biochemistry), Lligands (Bioquímica), Drug development, General Medicine, Crystallography, X-Ray, Ligands, Catalysis, Drug design, Computer Science Applications, Desenvolupament de medicaments, Inorganic Chemistry, Molecular Docking Simulation, Drug Design, Physical and Theoretical Chemistry, Molecular Biology, Spectroscopy, Protein Binding
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::29bae2b3b2e181928a5bda5b817effe6Test
https://pubmed.ncbi.nlm.nih.gov/35563148Test -
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المصدر: International Journal of Molecular Sciences; Volume 23; Issue 8; Pages: 4078
مصطلحات موضوعية: Aldehydes, Binding Sites, Cuminum, Circular Dichroism, Organic Chemistry, Serum Albumin, Human, General Medicine, Ligands, Catalysis, Computer Science Applications, body regions, Inorganic Chemistry, Molecular Docking Simulation, Spectrometry, Fluorescence, embryonic structures, Monoterpenes, Humans, Thermodynamics, Physical and Theoretical Chemistry, albumin, cumin components, cuminol, fluorescence, molecular docking, aldehyde and alcohol, Molecular Biology, Spectroscopy, Protein Binding
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cb13f6cf105f5f5da02a26ad847bfd61Test
https://pubmed.ncbi.nlm.nih.gov/35456897Test -
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المؤلفون: Ching-Yen Lin, Pei-Yi Chen, Hao-Jen Hsu, Wan-Yun Gao, Ming-Jiuan Wu, Jui-Hung Yen
المصدر: International Journal of Molecular Sciences; Volume 23; Issue 20; Pages: 12485
مصطلحات موضوعية: Flavonoids, Citrus, Lipoproteins, Organic Chemistry, General Medicine, nobiletin, ANGPTL3, lipoprotein lipase, TG-rich lipoprotein, LXRα, Ligands, Catalysis, Computer Science Applications, Inorganic Chemistry, Molecular Docking Simulation, Lipoprotein Lipase, Angiopoietin-like Proteins, Hepatocytes, Animals, RNA, Messenger, Physical and Theoretical Chemistry, Molecular Biology, Angiopoietins, Spectroscopy, Zebrafish, Triglycerides, Angiopoietin-Like Protein 3, Liver X Receptors, Transcription Factors
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc141a6fe967a278ba431754fb6816a7Test
https://pubmed.ncbi.nlm.nih.gov/36293338Test -
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المصدر: International journal of molecular sciences. 23(20)
مصطلحات موضوعية: Molecular Docking Simulation, Humans, Water, Central Nervous System Protozoal Infections, Ligands, Naegleria fowleri
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=pmid________::ebe505e56ddfecffb454e5bdc6d14a3bTest
https://pubmed.ncbi.nlm.nih.gov/36293059Test