„docking“
Suchergebnisse
7.903 Treffer
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Analysis of the Resistance of Hepatitis C Virus NS5B Polymerase Inhibitors via Docking and Molecular Dynamics Simulation
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Hydrolysis of lysophosphatidylcholines by a lipase from Malassezia globosa
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Exploiting Atropisomerism to Increase the Target Selectivity of Kinase Inhibitors
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Exploiting Atropisomerism to Increase the Target Selectivity of Kinase Inhibitors
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The Art of Compiling Protein Binding Site Ensembles
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Molecular Modeling of Licochalcone E as Protein Tyrosine Phosphatase 1B Inhibitor
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Molecular Simulations Bring New Insights into Protoporphyrinogen IX Oxidase/Protoporphyrinogen IX Interaction Modes
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Repositioning of Endonuclear Receptors Binders as Potential Antibacterial and Antifungal Agents. Eptyloxìm: A Potential and Novel Gyrase B and Cytochrome Cyp51 Inhibitor
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Discovery of an Interleukin 33 Inhibitor by Molecular Docking Simulation and NMR Analysis
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Speed vs Accuracy: Effect on Ligand Pose Accuracy of Varying Box Size and Exhaustiveness in AutoDock Vina
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In Silico Investigation of the Neurotensin Receptor 1 Binding Site: Overlapping Binding Modes for Small Molecule Antagonists and the Endogenous Peptide Agonist
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Rational Design of Coumarin Derivatives as CK2 Inhibitors by Improving the Interaction with the Hinge Region
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Distance Regulated Vesicle Fusion and Docking Mediated by β‐Peptide Nucleic Acid SNARE Protein Analogues
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Synthesis and Biological Evaluation of Gem‐Difluoromethylenated Statin Derivatives as Highly Potent HMG‐CoA Reductase Inhibitors
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Design, Synthesis, and Evaluation of 3‐((4‐(t ‐Butyl)‐2‐(2‐benzylidenehydrazinyl) thiazol‐5‐yl) methyl) quinolin‐2 (1 H)‐ones as Neuraminidase Inhibitors
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Monoamine Oxidase Inhibitory Activity: Methyl‐ versus Chlorochalcone Derivatives
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Engineered Substrate‐Specific Delta PKC Antagonists to Enhance Cardiac Therapeutics
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Control over the Hydrogen‐Bond Docking Site in Anisole by Ring Methylation
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Sophisticated Design of Covalent Organic Frameworks with Controllable Bimetallic Docking for a Cascade Reaction
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Engineered Substrate‐Specific Delta PKC Antagonists to Enhance Cardiac Therapeutics