„docking“
Suchergebnisse
7.903 Treffer
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Synthesis, X-ray Structure, DFT, Hirshfeld Surface, QTAIM/RDG and Molecular Docking Analysis of 3-methyl-4-nitro-1,1-biphenyl (3-MNB)
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Chestnut shell polyphenols as a new potential α-amylase inhibitor: Inhibition mechanism (interaction, kinetic, molecular docking), in vitro digestibility of starches, and identification of phenolic compounds by UHPLC-QE
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An algorithm for the protein docking problem
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Exploring the Antimycotic Potential of Dropped Citrus Fruit Extracts as a Biopesticide Against Phytopathogenic Fungi in Rice Accompanied by Molecular Docking Studies
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Causal-inferring and molecular-docking yield new targets for malignant melanoma therapy
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Solvent-Free Synthesis, Crystal Structure and Molecular Docking of N-(2-Hydroxyethyl) Piperazinum Chloride with Selected Biological Proteins
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Vitamin D Relieves Epilepsy Symptoms and Neuroinflammation in Juvenile Mice by Activating the mTOR Signaling Pathway via RAF1: Insights from Network Pharmacology and Molecular Docking Studies
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Effect of Silver-Graphene Oxide-Cobalt Oxide Nanocomposite on Cytotoxic Levels in MRC-5 and HepG2 Cell Lines and Molecular Docking Studies
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CoMFA, HQSAR and molecular docking studies of butitaxel analogues with β-tubulin
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X-Ray Crystallography, Molecular Interactions, DFT Study, and Molecular Docking Investigation of a Novel Noncentrosymmetric Cu(II) Complex of 2,6-Dimethylpyrimidin-4-(1 H)-One Based Ligand
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Molecular dynamics simulations, molecular docking study, and scaled quantum calculations of 5-hydroxy-2-nitrobenzaldehyde
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A modeling of the structure and favorable H-docking sites and defects for the high-pressure silica polymorph stishovite
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Analyses of the effects of Rck2p mutants on Pbs2pDD-induced toxicity in Saccharomyces cervisiae identify a MAP kinase docking motif, and unexpected functional inactivation due to acidic substitution of T379
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The electron localization function: a tool for locating favorable proton docking sites in the silica polymorphs
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Modeling of peroxide activation in artemisinin derivatives by serial docking
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Covalent complexes of proteasome model with peptide aldehyde inhibitors MG132 and MG101: docking and molecular dynamics study
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Use of molecular modeling, docking, and 3D-QSAR studies for the determination of the binding mode of benzofuran-3-yl-(indol-3-yl)maleimides as GSK-3β inhibitors
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Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease
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Molecular docking study of the binding of aminopyridines within the K+ channel
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Modeling the structural and reactivity properties of hydrazono methyl-4H-chromen-4-one derivatives—wavefunction-dependent properties, molecular docking, and dynamics simulation studies