Keywords: تجزیه و تحلیل حالت معمولی; Silicon nanowires; Normal mode analysis; Substrate binding; Biosensors; SERS; Mercaptobenzoic acid; Hot spots mapping;
مقالات ISI تجزیه و تحلیل حالت معمولی (ترجمه نشده)
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Keywords: تجزیه و تحلیل حالت معمولی; Flagellar motor; Cytoplasmic ring; Switching mechanism; Elastic network model; Normal mode analysis; Mass-weighed chemical elastic network model;
Keywords: تجزیه و تحلیل حالت معمولی; Internal coordinates; Normal mode analysis; Monte Carlo; Flexibility sampling;
Keywords: تجزیه و تحلیل حالت معمولی; Spider silk; Glycylglycylarginine; Zwitterion; Normal Mode Analysis; DFT
Keywords: تجزیه و تحلیل حالت معمولی; Free energy calculation; Constraint correction; Molecular dynamics simulation; Normal mode analysis; Bennett's acceptance ratio;
Keywords: تجزیه و تحلیل حالت معمولی; Entropy; Normal mode analysis; Quasi harmonics; Binding affinity; Mining minima; Configurational entropy;
Keywords: تجزیه و تحلیل حالت معمولی; Thermoelasticity; G–L theory; Three-dimensional solution; Normal mode analysis
Keywords: تجزیه و تحلیل حالت معمولی; Three-phase-lag model; Thermo-viscoelasticity; Two-temperature parameter; Normal mode analysis; Three-dimensional modeling; Thermal source
Keywords: تجزیه و تحلیل حالت معمولی; Elastic wave equation; First order systems; Rayleigh surface waves; Perfectly matched layers; Stability; Normal mode analysis; High order finite difference; Summation-by-parts; Penalty method;
Keywords: تجزیه و تحلیل حالت معمولی; Normal mode analysis; Vanadium oxide; Vibrational structure; Silica; Raman; IR
Keywords: تجزیه و تحلیل حالت معمولی; Single particle analysis; Normal Mode Analysis; Continuous conformational changes; Structure; Dynamics; Software
Keywords: تجزیه و تحلیل حالت معمولی; Protein dynamics; Elastic network model; Normal mode analysis; Elastic network interpolation; Pathway generation
Keywords: تجزیه و تحلیل حالت معمولی; Thermoelasticity; Three-dimensional model; Green and Naghdi model II; Normal mode analysis; Eigenvalue approach
Keywords: تجزیه و تحلیل حالت معمولی; Normal mode analysis; Elastic network model; Torsion angle; Conformation change; Allostery; Energy barrier;
Keywords: تجزیه و تحلیل حالت معمولی; SMYD family; Autoinhibition; MD simulations; Energy correlation; Normal mode analysis
Normal mode analysis of Zika virus
Keywords: تجزیه و تحلیل حالت معمولی; Zika virus; Glycosylation site; Normal mode analysis; Elastic network model; Symmetry constrained elastic network model;
Difference distance map data of alternative crystal forms of UlaA
Keywords: تجزیه و تحلیل حالت معمولی; C2A, P21A; Space group names; APC; Amino acid-Polyamine organoCation superfamily of secondary carriers; PTS; Bacterial Phospho-Transferase System; NMA; Normal Mode Analysis;
Modeling global changes induced by local perturbations to the HIV-1 capsid
Keywords: تجزیه و تحلیل حالت معمولی; Network model; Normal mode analysis; Cyclophilin A; Coarse-grained; Structural dynamics;
The V-motifs facilitate the substrate capturing step of the PTS elevator mechanism
Keywords: تجزیه و تحلیل حالت معمولی; C2A, P21A; space group names; APC; Amino acid-Polyamine organoCation superfamily of secondary carriers; PTS; bacterial Phospho-Transferase System; NMA; Normal Mode Analysis;
Crystal structure of phosphoglucomutase from Leishmania major at 3.5 Å resolution
Keywords: تجزیه و تحلیل حالت معمولی; Leishmania major; Phosphoglucomutase; α-phosphohexomutase superfamily; Normal mode analysis; Docking; Drug designing
Computer-aided design of aptamers for cytochrome p450
Keywords: تجزیه و تحلیل حالت معمولی; VEGF; vascular endothelial growth factor; SELEX; Systematic Evolution of Ligands by EXponential enrichment; CYP51; cytochrome p450 51A1, lanosterol 14α-demethylase; MD; molecular dynamics; PME; particle mesh Ewald; MM-PBSA; Molecular Mechanics Poissonâ
Cardiolipin containing liposomes are fully ionized at physiological pH. An FT-IR study of phosphate group ionization
Keywords: تجزیه و تحلیل حالت معمولی; CL, cardiolipin; TOCL, tetraoleyl cardiolipin; DOPC, dioleyl-sn-glycero-phosphocholineCardiolipin; IR-specroscopy; Phosphocholine; Protonation states; Normal mode analysis
Modeling G protein-coupled receptors in complex with biased agonists
Keywords: تجزیه و تحلیل حالت معمولی; flexible docking; global conformational changes; local conformational changes; molecular dynamics; normal mode analysis; virtual screening
Conformational restriction of G-proteins Coupled Receptors (GPCRs) upon complexation to G-proteins: A putative activation mode of GPCRs?
Keywords: تجزیه و تحلیل حالت معمولی; MRMS; Mass-weighted Root Mean Square; G-protein Coupled Receptor; G-protein heterotrimer complex; Normal Mode Analysis; Activation mechanism; Unique motion;
Binding sites and hydrophobic pockets in Human Thioredoxin 1 determined by normal mode analysis
Keywords: تجزیه و تحلیل حالت معمولی; Molecular modeling; Normal mode analysis; Human Thioredoxin 1; Binding sites; Allosteric inhibition;
iMODFIT: Efficient and robust flexible fitting based on vibrational analysis in internal coordinates
Keywords: تجزیه و تحلیل حالت معمولی; Hybrid methods; Molecular modeling; Flexible fitting; Normal mode analysis; Internal coordinates; Coarse-grained models;
Normal mode analysis based on an elastic network model for biomolecules in the Protein Data Bank, which uses dihedral angles as independent variables
Keywords: تجزیه و تحلیل حالت معمولی; Elastic network model; Normal mode analysis; Dihedral angle space; Protein Data Bank; Protein–DNA complex; Protein–tRNA complex
A cell-based reporter assay for screening for EcR agonist/antagonist activity of natural ecdysteroids in Lepidoptera (Bm5) and Diptera (S2) cell cultures, followed by modeling of ecdysteroid-EcR interactions and normal mode analysis
Keywords: تجزیه و تحلیل حالت معمولی; Cell-based screening system; Ecdysteroid agonist; Ecdysteroid antagonist; Molecular modeling; Normal mode analysis; Steroids
Effect of fractional parameter on plane waves of generalized magneto–thermoelastic diffusion with reference temperature-dependent elastic medium
Keywords: تجزیه و تحلیل حالت معمولی; Generalized thermoelasticity; Fractional parameter; Diffusion; Relaxation time; Normal mode analysis
Monomeric and dimeric structures, electronic properties and vibrational spectra of azelaic acid by HF and B3LYP methods
Keywords: تجزیه و تحلیل حالت معمولی; Frontier orbitals; First static hyperpolarizability; Normal mode analysis; Intermolecular hydrogen bond;
The harmonic analysis of cylindrically symmetric proteins: A comparison of Dronpa and a DNA sliding clamp
Keywords: تجزیه و تحلیل حالت معمولی; Normal mode analysis; Protein topology; Symmetric proteins
A three-dimensional thermoelastic problem for a half-space without energy dissipation
Keywords: تجزیه و تحلیل حالت معمولی; Thermoelasticity; Green–Naghdi model II; Energy dissipation; Normal mode analysis; Eigenvalue approach
Biomechanics of actin filaments: A computational multi-level study
Keywords: تجزیه و تحلیل حالت معمولی; Cytoskeleton; Molecular dynamics; Normal mode analysis; Actin; Biopolymer; Coarse grain; Elastic network; Mechanics; Biomechanics; Elastic modulus; Bending; Stretching; Stiffness; Torsion; Persistence length; Fluctuations; Mechanical properties;
Role of loop dynamics in thermal stability of mesophilic and thermophilic adenylosuccinate synthetase: A molecular dynamics and normal mode analysis study
Keywords: تجزیه و تحلیل حالت معمولی; Enzyme catalysis; MD simulations; Normal mode analysis; Loop dynamics;
Normal mode analysis with molecular geometry restraints: Bridging molecular mechanics and elastic models
Keywords: تجزیه و تحلیل حالت معمولی; Normal mode analysis; Energy minimization; All-atom normal modes; Coarse-graining; Molecular geometry restraints; Tip effect
Conformational dynamics of supramolecular protein assemblies
Keywords: تجزیه و تحلیل حالت معمولی; Electron Microscopy Data Bank; Normal mode analysis; Finite element method
Ligand-induced conformational change of a protein reproduced by a linear combination of displacement vectors obtained from normal mode analysis
Keywords: تجزیه و تحلیل حالت معمولی; Ligand binding; Holo-form protein; Apo-form protein; Normal mode analysis; Conformational change; Conformational sampling;
Conformational transition in the substrate binding domain of β-secretase exploited by NMA and its implication in inhibitor recognition: BACE1–myricetin a case study
Keywords: تجزیه و تحلیل حالت معمولی; BACE1; AD; Normal mode analysis; Elastic network model; MRC; Pharmacophoric feature
A two-dimensional generalized electro-magneto-thermoviscoelastic problem for a half-space with diffusion
Keywords: تجزیه و تحلیل حالت معمولی; Electro-magneto-thermoviscoelasticity; G–L theory; Generalized thermoelastic diffusion; Normal mode analysis
Experimental and theoretical IR study of methanol and ethanol conversion over H-SAPO-34
Keywords: تجزیه و تحلیل حالت معمولی; Methanol to hydrocarbons; IR; H-SAPO-34; DFT calculations; In situ DRIFT measurements; Normal mode analysis
Spectroscopic and theoretical study on inclusion complexation of beta-cyclodextrin with permethrin
Keywords: تجزیه و تحلیل حالت معمولی; β-CD·PERM inclusion complex; FT-IR and Raman spectrum; Normal mode analysis; DFT computation
Structural dynamics of bio-macromolecules by NMR: The slowly relaxing local structure approach
Keywords: تجزیه و تحلیل حالت معمولی; AK; adenylate kinase; AKeco; adenylate kinase from Escherichia coli; B.-O.; Born-Oppenheimer approximation; CaM; Ca2+-calmodulin; CSA; chemical shift anisotropy; 3D GAF; 3-dimensional Gaussian axial fluctuations; DNA; deoxyribonucleic acid; EDA; essenti
Infrared spectra prediction and potential energy surface studies of methylarsine and methylstibine
Keywords: تجزیه و تحلیل حالت معمولی; Normal mode analysis; Infrared spectra; Rotation and inversion barriers; Potential energy surface; Methylarsine; Methylstibine
Endopolygalacturonases reveal molecular features for processivity pattern and tolerance towards acetylated pectin
Keywords: تجزیه و تحلیل حالت معمولی; Acetylated homogalacturonan; Tolerance profile; Processivity pattern; Oligogalacturonates docking; Normal mode analysis
Phase transition in the Ruddlesden–Popper layered perovskite Li2SrTa2O7
Keywords: تجزیه و تحلیل حالت معمولی; Phase transition; Layered perovskite oxide; Ruddlesden–Popper; Raman; X-ray and neutron diffraction; Octahedra tilting; Normal mode analysis
Collective motions in Glucosamine-6-phosphate Synthase: Influence of Ligand Binding and role in Ammonia Channelling and Opening of the Fructose-6-Phosphate Binding Site
Keywords: تجزیه و تحلیل حالت معمولی; GlmS, bacterial glucosamine-6-phosphate synthase; HBP, hexosamine biosynthesic pathway; Gfat, human glucosamine-6-phosphate synthase; NMA, normal modes analysis; MRMS, mass weighted root-mean-squareglucosamine-6-phosphate synthase; normal mode analysis; l
Evolutionary conservation of protein vibrational dynamics
Keywords: تجزیه و تحلیل حالت معمولی; GNM, Gaussian Network Model; PDB, Protein Data BaseGaussian Network Model; Normal mode analysis; Flexibility profile
Prediction of the receptor conformation for iGluR2 agonist binding: QM/MM docking to an extensive conformational ensemble generated using normal mode analysis
Keywords: تجزیه و تحلیل حالت معمولی; Protein flexibility; Molecular docking; Normal mode analysis; Elastic network model; Ensemble generation; iGluR2 receptor; Domain closure
Extracting degenerate modes and frequencies from time-domain simulations with filter-diagonalization
Keywords: تجزیه و تحلیل حالت معمولی; FDM; Filter-diagonalization eigenmode; Degenerate mode; Normal mode analysis; Harmonic inversion; FDTD; Simulation; Time-domain; Electromagnetic
Reflection of magneto-thermoelastic waves with two relaxation times and temperature dependent elastic moduli
Keywords: تجزیه و تحلیل حالت معمولی; Thermal relaxation times; Generalized thermoelasticity theory; Normal mode analysis; Electro-magneto-thermoelastic couple