„docking“
Suchergebnisse
7.903 Treffer
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Virtual screening to identify Leishmania braziliensis N-myristoyltransferase inhibitors: pharmacophore models, docking, and molecular dynamics
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Homology modeling, molecular docking, and dynamics of two α-methyl-d-mannoside-specific lectins from Arachis genus
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An insight into paracetamol and its metabolites using molecular docking and molecular dynamics simulation
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Synthesis, antibacterial evaluation, and docking studies of azaisoflavone analogues generated by palladium-catalyzed cross coupling
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Characterization of the interactions between coumarin-derivatives and acetylcholinesterase: Examination by NMR and docking simulations
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Potential antidiabetic activity and molecular docking studies of novel synthesized 3.6-dimethyl-5-oxo-pyrido[3,4-f][1,2,4]triazepino[2,3-a]benzimidazole and 10-amino-2-methyl-4-oxo pyrimido[1,2-a]benzimidazole derivatives
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QSAR, docking studies and toxicology prediction of isoquinoline derivatives as leucine aminopeptidase inhibitors
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In silico docking and molecular dynamics simulation of 3-dehydroquinate synthase (DHQS) from Mycobacterium tuberculosis
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Elucidating the binding efficacy of β-galactosidase on graphene by docking approach and its potential application in galacto-oligosaccharide production
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Molecular docking to Toxoplasma gondii thymidylate synthase-dihydrofolate reductase and efficacy of raltitrexed in infected mice
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Insight into the interaction mechanism of human SGLT2 with its inhibitors: 3D-QSAR studies, homology modeling, and molecular docking and molecular dynamics simulations
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Molecular docking, molecular modeling, and molecular dynamics studies of azaisoflavone as dual COX-2 inhibitors and TP receptor antagonists
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Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds
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Reactivity of the coumarine derivative towards cartilage proteins: combined NBO, QTAIM, and molecular docking study
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What do docking and QSAR tell us about the design of HIV-1 reverse transcriptase nonnucleoside inhibitors?
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Crystallographic Structure of Human Dihydroorotate Dehydrogenase in Complex with the Natural Product Inhibitor Lapachol
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Identification of 2,4-diarylaminopyrimidine analogues as ALK inhibitors by using 3D-QSAR, molecular docking, and molecular dynamics simulations
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Docking-assisted 3D-QSAR studies on xanthones as α-glucosidase inhibitors
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Testing the ability of rhodanine and 2, 4-thiazolidinedione to interact with the human pancreatic alpha-amylase: electron-density descriptors complement molecular docking, QM, and QM/MM dynamics calculations
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The relationship between the antimicrobial activity of eugenol and the LPETG peptide structure and associated analysis for docking purposes