Keywords: سازگاری مولکولی; Myofibrillar proteins; Dietary fiber; Molecular conformation; Microstructure; Principal component analysis;
مقالات ISI سازگاری مولکولی (ترجمه نشده)
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Keywords: سازگاری مولکولی; Paramylon esters; Films; Thermal properties; Mechanical properties; Molecular conformation;
Understanding the conformational changes and molecular structure of furoyl thioureas upon substitution
Keywords: سازگاری مولکولی; Thiourea derivatives; Molecular conformation; Single crystal structure determination; Vibrational spectroscopy; Hirshfeld surface analysis; Topological study;
Keywords: سازگاری مولکولی; IPTG; isopropyl-β-d-thiogalactoside; SDS; sodium dodecyl sulfate; PAGE; polyacrylamide gel electrophoresis; GST; glutathione S-transferase; f(4); four repeats of designed gene motif f(1); f(8); eight repeats of designed gene motif f(1); F(1); expression
Keywords: سازگاری مولکولی; Molecular conformation; Protein; DDGP; DMDGP; Re-order; Branch-and-Prune
Keywords: سازگاری مولکولی; Particle swarm optimization; Molecular conformation; Heterogeneous search; Hierarchical group; Swarm migration;
Effects of styrene unit on molecular conformation and spectral properties of CNPhCHNPhCHCHPhCN
Keywords: سازگاری مولکولی; Schiff bases; Crystal structure; Absorption spectrum; Molecular conformation;
Zinc(II) and cadmium(II) complexes of long flexible bis(imidazole) and phenylenediacetate ligands, synthesis, structure, and luminescent property
Keywords: سازگاری مولکولی; Coordination complexes; Porous network; Fluorescence properties; Entangled system; Molecular conformation;
pH-dependent complexation of lysozyme with low methoxyl (LM) pectin
Keywords: سازگاری مولکولی; Lysozyme; LM pectin; Complexes; Electrostatic interactions; Molecular conformation;
Structure, molecular conformation, and immunomodulatory activity of four polysaccharide fractions from Lignosus rhinocerotis sclerotia
Keywords: سازگاری مولکولی; Polysaccharides from Lignosus rhinocerotis; Molecular conformation; Immunomodulatory activity;
Polysaccharide from Lycium barbarum L. leaves enhances absorption of endogenous calcium, and elevates cecal calcium transport protein levels and serum cytokine levels in rats
Keywords: سازگاری مولکولی; CAT1; calcium transporter 1; CRC; colorectal cancer; DMT1; divalent metal transporter; DP; the degraded LP in rat cecum; FAAS; atomic absorption spectrometry; FBS; fetal bovine serum; FID; flame ionization detector; FTIR; Fourier transform infrared; GLs;
Embracing chemical and structural diversity with UCONGA: A universal conformer generation and analysis program
Keywords: سازگاری مولکولی; Software; Molecular conformation; Computer simulation; Drug design; Structural chemistry; Inorganic chemistry;
Effects of Electrode Potential on the Adsorption Behavior of TBPS on an Au Surface
Keywords: سازگاری مولکولی; Cyclic voltammetry; In-situ Surface-Enhanced Infrared Absorption Spectroscopy; Electroplating additive; Adsorption; Molecular conformation;
Sensing NADH conformation using phasor analysis on fluorescence spectra
Keywords: سازگاری مولکولی; Fluorescence; Spectral phasor analysis; Molecular conformation; Solvent denaturation; Protein binding; Autofluorescence;
An alternative approach to distance geometry using L∞L∞ distances
Keywords: سازگاری مولکولی; Distance geometry; Molecular conformation; NMR
Atomic force microscopy analysis of IgG films at hydrophobic surfaces: A promising method to probe IgG orientations and optimize ELISA tests performance
Keywords: سازگاری مولکولی; Atomic force microscopy; ELISA; Protein adsorption; Thin films; Molecular conformation;
Conformation of the umifenovir cation in the molecular and crystal structures of four carboxylic acid salts
Keywords: سازگاری مولکولی; Umifenovir; Carboxylic acid; Molecular salt; Crystal structure; Molecular conformation
Halogen⋯halogen contacts for the stabilization of a new polymorph of 9,10-dichloroanthracene
Keywords: سازگاری مولکولی; 9,10-Dichloroanthracene; Polymorphism; Molecular conformation; Cl⋯Cl interactions; Halogen-bonding; DFT-D
The shape of trifluoromethoxybenzene
Keywords: سازگاری مولکولی; Trifluoroanisole; Molecular conformation; Molecular structure; Rotational spectra;
Inhibitors of HIV-1 attachment. Part 7: Indole-7-carboxamides as potent and orally bioavailable antiviral agents
Keywords: سازگاری مولکولی; Antivirals; HIV-1 attachment inhibitors; Indole glyoxamide; Amides; Molecular conformation;
In silico FRET from simulated dye dynamics
Keywords: سازگاری مولکولی; Fluorescence resonance energy transfer; Molecular conformation; Monte Carlo; Molecular dynamics; Markov Chain; Single molecule;
Enhanced energy transfer between poly-(vinylcarbazole) and tris(2-phenylpyridine) iridium(III) via the switch of molecular conformation induced by different solvents and UV light irradiation
Keywords: سازگاری مولکولی; PLEDs; Molecular conformation; Triplets;
Impact of selective thermal annealing on rubrene–C60 heterojunction solar cells
Keywords: سازگاری مولکولی; Molecular conformation; Organic–organic interface; Organic solar cells; Thermal annealing; Substrate temperature
Conformational study of the (z)-[(2-iminoethylidone)silyl]amine at the MP2, DFT and G2MP2 levels
Keywords: سازگاری مولکولی; (z)-1-(2-Iminoethylidene) silane amine; Molecular conformation; AIM; NBO; HOMO and LUMO;
Structure and vibrational spectra of some 8-oxa[5]helicenes
Keywords: سازگاری مولکولی; 8-Oxa[5]helicene; Benzo[c]phenanthrene; Molecular conformation; Heliomeric isomers; Vibrational analysis; DFT
Experimental and theoretical investigation of molecular structure and conformation of the 4-isopropylthioxanthone
Keywords: سازگاری مولکولی; Isopropylthioxanthones; Photoinitiator; Molecular conformation; Intermolecular interactions; Theoretical calculations; Spectroscopy analyses
Interplay between molecular conformation and intermolecular interactions in conformational polymorphism: A molecular perspective from electronic calculations of tolfenamic acid
Keywords: سازگاری مولکولی; Polymorphism; Molecular conformation; Intermolecular interactions; Conceptual density functional calculations
Dynamic molecular movements and aggregation structures of lipids in a liquid state
Keywords: سازگاری مولکولی; Molecular conformation; Dynamic molecular movement; Aggregation structure; Liquid structure; Triacylglycerol; Oleic acid; Elaidic acid; Stearic acid; Self-diffusion coefficient; Near-infrared spectroscopy; X-ray diffraction
Molecular structure of (E)-benzaldehyde oxime from gas-phase electron diffraction, quantum-chemical calculations and microwave spectroscopy
Keywords: سازگاری مولکولی; Molecular conformation; Gas-phase electron diffraction; Benzaldehyde oxime; Ab initio calculation; Rotational spectroscopy;
Synthesis, spectral and computational studies of some N-acyl-t(3)-isopropyl-r(2),c(6)-bis-2â²-furylpiperidin-4-one oximes
Keywords: سازگاری مولکولی; N-Acylpiperidin-4-one oximes; Molecular conformation; Spectral; Computational studies;
Structural and spectroscopic studies on 2-pyranones
Keywords: سازگاری مولکولی; 2-Pyranone; Molecular conformation; Infrared spectra; Raman spectra; Electronic spectra; DFT; Electrostatic potential
Molecular and vibrational structure of the extracellular bacterial signal compound N-butyryl-homoserine lactone (C4-HSL)
Keywords: سازگاری مولکولی; N-Acyl-homoserine lactones (AHL); Infrared spectroscopy; Molecular conformation; Intermolecular hydrogen bonding; Density functional theory (DFT)
Conformational landscape in chiral terpenes from vibrational spectroscopy and quantum chemical calculations: S-(+)-carvone
Keywords: سازگاری مولکولی; Molecular conformation; Vibrational spectroscopy; Quantum chemical calculations; SQMFF methodology; Chiral terpenes; S-(+)-carvone; Vibrational circular dichroism; IR; Raman
Vibrational spectra and molecular structure of 3-(piperidine-1-yl-methyl)-1,3-benzoxazol-2(3H)-one molecule by density functional theory and Hartree-Fock calculations
Keywords: سازگاری مولکولی; HF; DFT; FT-IR; Molecular conformation; Benzoxazole; Piperidine;
Ab initio and experimental studies on structure and vibrational spectra of some partially reduced benzo[c]phenanthrenes
Keywords: سازگاری مولکولی; Benzo[c]phenanthrene; Reduced benzo[c]phenanthrenes; Molecular conformation; Vibrational analysis; DFT; Hydrogen-hydrogen bonding;
Rotational isomers of small molecules in noble-gas solids: From monomers to hydrogen-bonded complexes
Keywords: سازگاری مولکولی; Molecular conformation; Quantum tunneling; Hydrogen bonding
Single crystal morphology and structural data of a series of polyesters derived from 1,8-octanediol
Keywords: سازگاری مولکولی; Crystal morphology; Lamella; Electron microscopy; Polyester; X-ray diffraction; Molecular conformation
Analysis of weak interactions involving organic fluorine: Insights from packing features in substituted 4-keto-tetrahydroindoles
Keywords: سازگاری مولکولی; Weak interactions; Hydrogen bonds; Organic fluorine; Molecular conformation
Discrete dihedral-angle modulation in porphyrin wheels adsorbed on Cu(1 0 0) observed by scanning tunneling microscopy
Keywords: سازگاری مولکولی; Scanning tunneling microscopy; Adsorption kinetics; Macromolecules; Porphyrin derivatives; Molecular conformation; Adsorption;
Structure and properties of regenerated Antheraea pernyi silk fibroin in aqueous solution
Keywords: سازگاری مولکولی; Antheraea pernyi; Silk fibroin; Molecular conformation; Sol–gel
Structural studies on trifluoromethyl substituted 2,5-diphenyl-1,3,4-oxadiazoles
Keywords: سازگاری مولکولی; Crystal structure; 1,3,4-oxadiazole; Molecular conformation; Weak interactions;
The molecular conformation of Ibuprofen, C13H18O2, through X-ray diffuse scattering
Keywords: سازگاری مولکولی; Diffuse scattering; Molecular conformation; Ibuprofen
Binding behavior of amino acid conjugates of indole-3-acetic acid to immobilized human serum albumin
Keywords: سازگاری مولکولی; Indole-3-acetic acid (IAA); Amino acid conjugate; Human serum albumin; Ligand binding; Lipophilicity; Molecular conformation
Morphology and structure of poly(p-dioxanone)
Keywords: سازگاری مولکولی; Crystal morphology; Lamella; Electron microscopy; Poly(p-dioxanone); Molecular conformation
Challenges of continuous global optimization in molecular structure prediction
Keywords: سازگاری مولکولی; Global optimization; Nonlinear programming; Molecular conformation; Branch and bound; Computational chemistry
Control of single supramolecular chain of porphyrin on a copper surface
Keywords: سازگاری مولکولی; Molecular chain; Porphyrin; STM; Molecular conformation
Spectral investigations of selected C60-organic chromophore-linked systems
Keywords: سازگاری مولکولی; Fullerene containing dyads; Chromophores; Electronic spectra; Molecular conformation;
NMR study of conformation and isomerization of aryl- and heteroarylaldehyde 4-tert-butylphenoxyacetylhydrazones
Keywords: سازگاری مولکولی; NMR spectroscopy; Molecular conformation; Hydrogen bonding; Arylaldehyde 4-tert-butylphenoxyacethydrazone; Acetyldrazones
Microwave spectra, molecular structures, and theoretical calculations of s-trans-(E)- and s-trans-(Z)-crotonaldehyde oximes
Keywords: سازگاری مولکولی; Microwave spectroscopy; Crotonaldehyde oxime; Molecular conformation; Theoretical calculation; Excited vibrational states
Solid-state structural properties of 2,4,6-trimethoxybenzene derivatives, determined directly from powder X-ray diffraction data in conjunction with other techniques
Keywords: سازگاری مولکولی; Powder X-ray diffraction; Structure determination; Molecular conformation; Solid state NMR; DFT calculations