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1دورية أكاديمية
المؤلفون: Jayashree Biswal, Prajisha Jayaprakash, Suresh Kumar Rayala, Ganesh Venkatraman, Raghu Rangaswamy, Jeyakanthan Jeyaraman
المصدر: ACS Omega, Vol 6, Iss 41, Pp 26829-26845 (2021)
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/2470-1343Test
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2دورية أكاديمية
المؤلفون: Raghu Rangaswamy, Nagarajan Hemavathy, Sneha Subramaniyan, Umashankar Vetrivel, Jeyaraman Jeyakanthan
مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biotechnology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, LIMK2, Type 3 inhibitor, pharmacophore screening, molecular dynamics simulation
الإتاحة: https://doi.org/10.6084/m9.figshare.24771693.v1Test
https://figshare.com/articles/journal_contribution/Harnessing_allosteric_inhibition_prioritizing_LIMK2_inhibitors_for_targeted_cancer_therapy_through_pharmacophore-based_virtual_screening_and_essential_molecular_dynamics/24771693Test -
3دورية أكاديمية
المؤلفون: Jayashree Biswal (820672), Prajisha Jayaprakash (3471893), Suresh Kumar Rayala (3842875), Ganesh Venkatraman (345641), Raghu Rangaswamy (11524154), Jeyakanthan Jeyaraman (473107)
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Molecular Biology, Pharmacology, Biotechnology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, strong complementarity potentials, hydrophobic interactions maintained, energy hydration sites, active site directly, greater interaction strength, consistent interaction pattern, poor kinase selectivity, molecular dynamic simulation, activated kinase 1, highest docking score, molecular interaction patterns, binding affinity gains, based reposition efforts, new pak1 inhibitors, trazodone molecules highlighted, drug molecules flubendazole, crucial interaction, molecular orbital, kinase activity, drug molecules, lower affinity
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المؤلفون: Prajisha Jayaprakash, Jayashree Biswal, Ganesh Venkatraman, Raghu Rangaswamy, Jeyakanthan Jeyaraman, Suresh K. Rayala
المصدر: ACS Omega, Vol 6, Iss 41, Pp 26829-26845 (2021)
ACS Omegaمصطلحات موضوعية: biology, Chemistry, Kinase, General Chemical Engineering, Active site, General Chemistry, Flubendazole, Article, Hydrophobic effect, chemistry.chemical_compound, Molecular dynamics, Docking (molecular), biology.protein, Biophysics, Kinase activity, DrugBank, QD1-999
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a7b240350d58c79b6e9d4caa6ec9d2b2Test
https://doaj.org/article/aa730c13bcbc4d3f801ba00717c58a6cTest -
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المصدر: Molecular diversity.
مصطلحات موضوعية: Inorganic Chemistry, Organic Chemistry, Drug Discovery, General Medicine, Physical and Theoretical Chemistry, Molecular Biology, Catalysis, Information Systems
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee15d6851035ad4fd00b4204b0fe2b33Test
https://pubmed.ncbi.nlm.nih.gov/35727438Test -
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المصدر: RSC Advances. 10:25446-25455
مصطلحات موضوعية: 0303 health sciences, Natural product, biology, General Chemical Engineering, In silico, General Chemistry, Huperzia serrata, biology.organism_classification, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, chemistry, Docking (molecular), medicine, Biophysics, NMDA receptor, Receptor, 030217 neurology & neurosurgery, Huperzine A, 030304 developmental biology, medicine.drug, ADME
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fdb7ce8bcad7d4faad8a4221392a50f9Test
https://doi.org/10.1039/d0ra00722fTest -
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المصدر: Frontiers in Protein Structure, Function, and Dynamics ISBN: 9789811555299
مصطلحات موضوعية: Solvent, Chemical physics, Chemistry, Structural stability, Intramolecular force, Binding energy, Molecule, Protein folding, Binding site, Ligand (biochemistry)
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::50e160c2d9f937f16b2ba449a03adf09Test
https://doi.org/10.1007/978-981-15-5530-5_8Test