„docking“
Suchergebnisse
7.903 Treffer
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Exploration of the binding affinities between ecdysone agonists and EcR/USP by docking and MM-PB/GBSA approaches
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Truck scheduling in cross docking terminals with fixed outbound departures
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Scheduling Inbound and Outbound Trucks at Cross Docking Terminals
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Correction: Solvent-driven spectroscopic and quantum chemical evaluation of 2-[(trimethylsilyl) ethynyl]thiophene with molecular docking insights
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Correction to “Anti‐Hyperglycemic Potential of Algerian Trigonella foenum‐graecum L. Seed Extract in Type 1 Diabetic Rats: Combined In Vivo Studies and In Silico Docking Analysis of Bioactive Phenolic Compounds”
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Correction to “Synthesis, DFT Calculations, and Molecular Docking Study of New Aggregation‐Induced Emission Lumiogens Based on Thieno (2,3‐d) pyrimidine Moiety”
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Design, synthesis, molecular docking and molecular dynamics studies of some 3-methoxy flavone derivatives as an anti-breast cancer agent
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Kovalente Inhibitoren: Modellierung und Design
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Development and Application of Compound Class-Specific Benchmark Data Sets for Differentiated Assessment of Docking and Scoring Algorithm Performance
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Design and synthesis of novel bisubstrate analogues of ppGpp containing diphosphate isosteres as potential RSH enzyme inhibitors
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Natural Products as Kinase Inhibitors: Total Synthesis, in Vitro Kinase Activity, in Vivo Toxicology in Zebrafish Embryos and in Silico Docking
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Leitstruktursuche mithilfe eines kristallographischen Fragment-Screenings zur Inhibierung des Klasse-II-Chaperons IpgC aus Shigella flexneri
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Computergestützte Methoden in der Arzneimittel-Repositionierung und der Naturstoffbasierten Wirkstoffforschung
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Role of tetraspanin 15 in metabotropic glutamate receptor 5 signaling and extracellular vesicles docking at neurons from mus musculus domesticus
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Synthese, biologische Evaluierung und Molecular Docking Studien von C-furanosidischen LpxC-Inhibitoren
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A different type of “microscope”: Using MD simulations to understand the conformational dynamics of bioactive peptides with non-trivial conformational ensembles
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Computational methodologies for DNA-encoded libraries
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Modeling of Protein Assemblies Through Global Docking and Accelerated Molecular Dynamics Simulation
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Etablierung einer Grid-Computing Umgebung und virtuelles Screening an Cyclin-abhängigen Kinasen von veterinär- und humanrelevanten Parasiten
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Non-ribosomal peptide synthetase docking domains : structure, function and engineering strategies