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Synthesis and characterization of copper(II) complex with 2,6-diacetylpyridine-bis(phenylhydrazone)


Binding parameters and molecular dynamics of β-lactoglobulin-vanillic acid complexation as a function of pH - part B: Neutral pH.

Ligand Molecules sentence examples within Organic Ligand Molecules



Ligand‐Sensitised LaF3:Eu3+ and SrF2:Eu3+ Nanoparticles and in Vitro Haemocompatiblity Studies


Synthesis, spectroscopic characterization (FT-IR, PL), DFT calculations and antibacterial activity of silver(I) nitrate complex with nicotinaldehyde

Ligand Molecules sentence examples within Fmy Ligand Molecules



Molecular Modeling and Bioinformatics Analysis of Drug-Receptor Interactions in the System Formed by Glargine, Its Metabolite M1, the Insulin Receptor, and the IGF1 Receptor


NMR Spectra of 1-Vinylimidazole, Transformed by Paramagnetic Complexes



Ligand Molecules sentence examples within Potential Ligand Molecules



In silico validation and ADMET analysis for the best lead molecules


Bridging crystal engineering and drug discovery by utilizing intermolecular interactions and molecular shapes in crystals.

Ligand Molecules sentence examples within Isolated Ligand Molecules



Thermodynamics for Complex Formation of Boric Acid and Borate with Hydroxy Acids and Diols


Resonant inelastic X-ray scattering of a Ru photosensitizer: Insights from individual ligands to the electronic structure of the complete molecule.

Ligand Molecules sentence examples within Small Ligand Molecules



Molecular docking studies of dihydropyridazin-3(2H)-one derivatives as Antifungal, antibacterial and anti-helmintic agents


A Robust Bioassay of the Human Bradykinin B2 Receptor That Extends Molecular and Cellular Studies: The Isolated Umbilical Vein

Ligand Molecules sentence examples within ligand molecules bound



Chlorophyllin Competitive Effect on DNA-Binding Ligands


Physical limit to concentration sensing in a changing environment


MolADI: A Web Server for Automatic Analysis of Protein–Small Molecule Dynamic Interactions



Ligand Binding Domain of Estrogen Receptor Alpha Preserve a Conserved Structural Architecture Similar to Bacterial Taxis Receptors



Moment Theory of Chromatography for the Analysis of Reaction Kinetics of Intermolecular Interactions.



Plant-based analogues identified as potential inhibitor against tobacco mosaic virus: A biosimulation approach.



Tunable self-assembled Casimir microcavities and polaritons.



In Silico Analysis of Drug Repurposing Strategy for the Identification of Potential NS3 Helicase Inhibitors Against Zika Virus



Theoretical studies of Thiazolyl-Pyrazoline derivatives as promising drugs against malaria by QSAR modelling combined with molecular docking and molecular dynamics simulation



An insight into the inhibitory mechanism of phytochemicals and FDA-approved drugs on the ACE2–Spike complex of SARS-CoV-2 using computational methods



Evidence of band filling in PbS colloidal quantum dot square superstructures.



A red-emissive and positively charged RNA ligand enables visualization of mitochondrial depolarization and cell damage.



Preparation and Thermogravimetric and Antimicrobial Investigation of Cd (II) and Sn (II) Adducts of Mercaptopyridine, Amino Triazole Derivatives, and Mercaptothiazoline Organic Ligand Moieties



Tunable self-assembled Casimir microcavities and polaritons



Systemic Immunomodulatory Effects of Combinatorial Treatment of Thalidomide and Dexamethasone on T Cells and Other Immune Cells.



Molecular Docking Studies of Coronavirus Proteins with Medicinal Plant Based Phytochemicals



Recognition of distinct chemical molecules as inhibitors for KIT receptor mutants D816H/Y/V: A simulation approach



Effect of carbon backbone on luminescence properties of Eu-organic hybrid thin films prepared by ALD/MLD



Facile and versatile ligand analysis method of colloidal quantum dot



Tunable Size Dependence of Quantum Plasmon of Charged Gold Nanoparticles.



Does the Lipid Bilayer Orchestrate Access and Binding of Ligands to Transmembrane Orthosteric/Allosteric Sites of G Protein-Coupled Receptors?



Localized Spatial Emergent Behaviour in Bacterial Cells via Band-Detect Network Motif



Molecular designing, virtual screening and docking study of novel curcumin analogue as mutation (S769L and K846R) selective inhibitor for EGFR



Tuning the ring strain effect in acridine derivatives on binding affinity with G-quadruplex-DNA: A computational and experimental study.



Molecular modeling studies of repandusinic acid as potent small molecule for hepatitis B virus through molecular docking and ADME analysis



Precise modelling and interpretation of bioactivities of ligands targeting G protein-coupled receptors



Changes in the Electronic Transitions of Poly-Ethylene Glycol upon the Formation of a Coordinate Bond with Li+, Studied by ATR Far-Ultraviolet Spectroscopy.



Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations



Study on the recognition of G-quadruplexes by two stereoisomers of alkaloids



Comparative Study of the Adsorption of Thiol and Isocyanide Molecules on a Silver Surface by in Situ Surface-Enhanced Raman Scattering



Task-Dependent Coordination Levels of SmI2.



Molecular docking based virtual screening of carbonic anhydrase IX with coumarin (a cinnamon compound) derived ligands



Nanoparticle Ligand Exchange and Its Effects at the Nanoparticle-Cell Membrane Interface.



Vibrational Coupling on Stepwise Hydrogen Bond Formation of Amide I.



Synthesis, characterization, DFT calculations, and biological activity of copper(II) complexes with 1,1,1-trifluoro-4-(2-methoxyphenyl)butan-2,4-dione



A red-emitting Mn(II)-based coordination polymer build on 1,2,4,5-tetrakis(diphenylphosphinyl)benzene



Indirect influence of alkyl substituent on sigma-hole interactions: The case study of antimony(III) diphenyldithiophosphates with covalent Sb-S and non-covalent Sb⋯S pnictogen bonds



Molecular docking studies of isolated compounds from Cassia fistula on HMG-COA reductase



The influence of fractional surface coverage on the core-core separation in ordered monolayers of thiol-ligated Au nanoparticles.



High-Throughput Cellular Thermal Shift Assays in Research and Drug Discovery



Computer-aided identification of lung cancer inhibitors through homology modeling and virtual screening



Complexation properties and structural character of lanthanides complexes of O,N-hetero donor ligand BIZA


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