„docking“
Suchergebnisse
7.903 Treffer
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Isolation, GC/MS Analysis of Chemical Composition and Biological Activity of Coffea arabica Seeds Oil Growing at Shada Region-AlBaha with Molecular Docking Study
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Molecular Docking and Molecular Dynamics Simulation Insight of Amidase_2 Endolysin Domain as an Antifungal Enzyme
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In silico ADMET Study, Molecular Docking and Dynamic Simulation of Tuber Extract of Amorphophallus paeoniifolius for Anti-inflammatory Target Prediction in Asthma
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Ternary Complex Modeling, Induced Fit Docking and Molecular Dynamics Simulations as a Successful Approach for the Design of VHL‐Mediated PROTACs Targeting the Kinase FLT3
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Identification of potential plant secondary metabolites targeting begomovirus-associated betasatellite virulence factor βC1 protein through molecular docking, simulation and MM-PBSA studies
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Network pharmacology combining molecular docking to unveil the anti-inflammatory mechanism of Aconitum Heterophyllum
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In silico exploration of novel EGFR-targeting compounds: integrative molecular modeling, docking, pharmacokinetics, and MD simulations for advancing anti-cervical cancer therapeutics
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GNINA 1.3: the next increment in molecular docking with deep learning
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Synthesis, DFT study, in silico ADMET evaluation, molecular docking, and QSAR analysis of new anti-tuberculosis drugs derived from 2-hydroxybenzohydrazide derivatives
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Quantified Uncertainty of Flexible Protein-Protein Docking Algorithms
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Computational study on the mechanism of small molecules inhibiting NLRP3 with ensemble docking and molecular dynamic simulations
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Synthesis and Biological Evaluation of New N-(4-Acetylphenyl)-2-cyanoacetamide Derivatives with Docking, and Molecular Dynamics Insights
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Molecular docking, exploring diverse selectivities and mechanistic insights in the cycloaddition reaction between 3-benzoylpyrrolo-[1,2-a]quinoxaline-1,2,4(5H)-triones and butyl vinyl ether
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Quantum evaluation of novel epoxides: molecular docking, dynamics simulation, pharmacokinetics, stereoselectivity, and mechanistic insights into cis-himachalone and cis-himachalol epoxidation
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Investigating the chemical reactivity and molecular docking of 2-diazo-3,3,3-trifluoro-1-nitropropane with phenyl methacrylate using computational methods
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Synthesis, Characterization, and In Vitro Anticancer Studies of New 1,8-Naphthyridine Substituted Schiff Base Derivatives and Their Molecular Docking
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Ecofriendly Synthesis, Biological Evaluation, and Molecular Docking Studies of a Novel N-[3-(Benzo[d][1,3]dioxol-5-yl]-1,8-naphthyridine Benzamide Derivatives and Phenyl-triazolo-[1,8]naphthyridine Scaffolds
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Computational Exploration of Multitarget Effects of Curcumin in Breast Cancer Treatment
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Exploring the mechanism of Radix Bupleuri in the treatment of depression combined with SARS-CoV-2 infection through bioinformatics, network pharmacology, molecular docking, and molecular dynamic simulation
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Larvicidal Efficacy of Chloris virgata Extracts Against Aedes aegypti, Anopheles stephensi, and Culex quinquefasciatus with Insights into Mode of Action via Molecular Docking