„docking“
Suchergebnisse
7.903 Treffer
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Activity prediction of substrates in NADH-dependent carbonyl reductase by docking requires catalytic constraints and charge parameterization of catalytic zinc environment
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Investigation of Structural Determinants for the Substrate Specificity in the Zinc‐Dependent Alcohol Dehydrogenase CPCR2 from Candida parapsilosis
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Informed protein–ligand docking via geodesic guidance in translational, rotational and torsional spaces
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Unveiling the mechanisms of yanhusuo’s therapeutic effects in neuropathic pain through network pharmacology, single-cell RNA sequencing, and molecular docking
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Design of Novel PI3Kα Inhibitors by Combining 3D-QSAR, ADMET Screening, Molecular Docking, and Molecular Dynamics Simulations
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Analgesic and anti-inflammatory evaluations of S-naproxen derivatives in animals models supported by molecular docking simulation studies
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Docking of rice PYL receptors with ABA hormone and NF-Y transcription factors reveals potential roles in drought and salt stress
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Pharmacological targets and mechanism of baicalein in treating breast cancer: a study based on network pharmacology, molecular docking, and bioinformatics analysis
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Insights of ligand-based virtual screening in molecular docking and dynamics analysis of coumarin benzamides derivatives against Leishmaniasis
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In silico evaluation of 4-quinolone ligands interacting with human G protein-coupled receptor kinase 5 (GRK5) using message passing neural networks (MPNNs), molecular docking, and dynamics simulation
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Molecular docking-based design of novel tricyclic tetrahydropyridothienopyrimidinone derivatives as AChE/MAO-B dual inhibitors
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Synthesis, Characterization, and Biological Evaluation of Quercetin-BoronateCu-hNFs and Quercetin-Boronate@Zn-hNFs: AChE Inhibition, Antioxidant, Anticancer, Antibacterial, Antibiofilm Activity Against Multidrug-Resistant Bacteria and Molecular Docking Studies
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Discovery and molecular docking studies of nitrogen containing naphthyridine derivatives as potent HIV1 NNRTIs with anticancer potential
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Anti-inflammatory and cytotoxic assessment of flavonoids isolated from Viola odorata flowers with computer-guided docking study
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Comprehensive Description of Biochemical Activity, Molecular Docking, Molecular Dynamics, and Phytochemical Content of a Novel Edible Species: Endemic Polygonum Samsunicum
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Berechnung und Visualisierung von Kavitäten in Molekülen während eines Docking-Prozesses
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Influence of carboxymethyl chitosan chain length on its interaction with vitamin C and curcumin: molecular docking and molecular dynamic approach
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Harnessing AI-driven reverse docking in drug discovery: a comprehensive review of opportunities, challenges, and emerging trends
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Correction: Docking investigation of Thevetia peruviana plant compounds for targeting molluscicidal activity against Biomphalaria alexandrina snails, the intermediate host of Schistosoma mansoni
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Correction: Isolation of phytochemicals and exploration the mechanism of Dolichandrone spathacea in the treatment of chronic bronchitis by integrating network pharmacology, molecular docking, and experimental validation