„docking“
Suchergebnisse
7.903 Treffer
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Pentacyclo-icosan‐19′-one compound from Lawsonia inermis as monkeypox virus H1 phosphatase inhibitor: molecular docking, density functional theory, and molecular dynamics simulation studies
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Targeting SARS-CoV-2 variants with Bromelain: an in-silico study of Spike-ACE2 inhibition using docking, molecular dynamic simulation, and MM-PBSA
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Computational evaluation of Artemisia annua compounds for antiviral activity against SARS-CoV-2 and hepatitis B virus using molecular docking, MM-GBSA, and molecular dynamics simulation
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Anti-prostate cancer activity of Litsea cubeba ethanol extract through network pharmacology, molecular docking, and biological validation
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Repurposing the antibacterial drugs for inhibition of SARS-CoV2-PLpro using molecular docking, MD simulation and binding energy calculation
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Identifying structural–functional analogue of GRL0617, the only well-established inhibitor for papain-like protease (PLpro) of SARS-CoV2 from the pool of fungal metabolites using docking and molecular dynamics simulation
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Molekül-Dynamik-Simulationen und Dockingstudien an Histon-Desacetylasen und Histon-Acetyltransferasen
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Virtuelles Screening nach RNA-Liganden – zum Umgang mit einer flexiblen Zielstruktur
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Bindungseigenschaften der 17β-Hydroxysteroiddehydrogenasen [17-beta-Hydroxysteroiddehydrogenasen] 1 und 2
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Molecular modeling studies on signal transduction proteins
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Efficient ant colony optimization algorithms for structure and ligand-based drug design
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Improving protein docking with binding site prediction
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Uncovering the anti-cervical cancer mechanism of Ziyuglycoside I via integrated network pharmacology molecular docking and experimental validation
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Tamoxifen and Celecoxib Nanoparticles Co-Therapy for Lung Cancer Through Modulation of JAK/STAT Pathway: an In-Vitro and Molecular Docking Study
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Solvent-driven spectroscopic and quantum chemical evaluation of 2-[(trimethylsilyl) ethynyl]thiophene with molecular docking insights
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Synthesis, photoluminescence properties, solvent effect in molecular structure level, topology, and docking studies on Sulfa drug derivative
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Integrated bioinformatics and molecular docking ıdentify CCNB1, CDK1, and CYP1A2 as therapeutic targets of phytochemicals in hepatocellular carcinoma
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In silico molecular docking analysis of green tea bioactive compounds targeting banana bunchy top virus proteins
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In vitro anticholinesterase activities, molecular docking studies, DFT calculations and drug-likeness characters of β-keto ester
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Characterization of moss Barbula constricta (Mitt.) by comprehensive FTIR/ GC-MS-based metabolomics coupled with network pharmacology and molecular docking revealed potential anti-inflammatory compounds