Keywords: مدل دانه درشت; Brownian dynamic simulation; Coarse-grained model; Dendrimers; Asymmetry of branching;
مقالات ISI مدل دانه درشت (ترجمه نشده)
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Keywords: مدل دانه درشت; QM/MM method; All-atom model; Coarse-grained model; Molecular dynamics; Integral equation theory;
Keywords: مدل دانه درشت; Coarse-grained model; Molecular dynamics; Perfluoropolyethers;
Keywords: مدل دانه درشت; Polymer-matrix composites; Carbon nanotube; Tensile fracture; Coarse-grained model
Keywords: مدل دانه درشت; Collagen microfibrils; Chemomechanical model; Collagen denaturation; Molecular based model; Coarse-grained model; Modeling of degradation;
Keywords: مدل دانه درشت; Gating Charge; Coarse-grained Model; Equilibrium Fluctuation-Response Relation; Linear Response Approximation; (Gating) Charge-Voltage Relation Electrogenicity;
Keywords: مدل دانه درشت; Coarse-grained model; Molecular dynamics; Polybutadiene;
Keywords: مدل دانه درشت; Long chain alkyl sulfonate; Molecular dynamics; Micelle fusion; Coarse-grained model;
Keywords: مدل دانه درشت; Porous catalyst; Coarse-grained model; Mesoscale; Microscale; Effectiveness factor
Thermal-induced folding and unfolding of a transmembrane protein (CorA)
Keywords: مدل دانه درشت; Coarse-grained model; Protein folding; Monte Carlo simulation; Transmembrane protein CorA; Thermal response;
Multi-scale simulations of biological systems using the OPEP coarse-grained model
Keywords: مدل دانه درشت; Coarse-grained model; Amyloid and catch bond proteins; Hydrodynamics; Interactive; On-lattice and off-lattice simulations;
Blends of poly(3-alkylthiophene) and [6,6]-phenyl-C61-butyric acid methyl ester for organic photovoltaic cell applications: Multi-scale modeling approach
Keywords: مدل دانه درشت; Photovoltaic; Density functional theory; Molecular dynamics simulation; Force field; Coarse-grained model;
Mechanical response and deformation mechanics of Type IV pili investigated using steered coarse-grained molecular dynamics simulation
Keywords: مدل دانه درشت; Mechanical response; Steered molecular dynamics; Type IV pilus; Coarse-grained model;
Finsler geometry modeling and Monte Carlo study of 3D liquid crystal elastomer
Keywords: مدل دانه درشت; Liquid crystal elastomer; Soft elasticity; Elongation; Coarse-grained model; Anisotropy; Finsler geometry;
A New Approach for Modeling of Conformational Changes of Multi Chain Proteins
Keywords: مدل دانه درشت; conformational motion; coarse-grained model; motion simulation; multi chain;
Influence of cross-link structure, density and mechanical properties in the mesoscale deformation mechanisms of collagen fibrils
Keywords: مدل دانه درشت; Collagen; Fibril; Cross-links; Fracture; Nanomechanics; Molecular dynamics; Coarse-grained model;
Filtered models for bidisperse gas–particle flows
Keywords: مدل دانه درشت; Fluidization; Bidisperse system; Multiphase flow; Coarse-grained model; Particle size distribution; Particle technology
Small-angle X-ray scattering constraints and local geometry like secondary structures can construct a coarse-grained protein model at amino acid residue resolution
Keywords: مدل دانه درشت; Coarse-grained model; Restrained molecular dynamics; Secondary structure; Small-angle X-ray scattering;
Fibrillization Propensity for Short Designed Hexapeptides Predicted by Computer Simulation
Keywords: مدل دانه درشت; DMD, discontinuous molecular dynamicsfibrils; fibrillization propensity; fibril stability; coarse-grained model; discontinuous molecular dynamics
Preparation, structure, and a coarse-grained molecular dynamics model for dodecanethiol-stabilized gold nanoparticles
Keywords: مدل دانه درشت; Nanostructures; Gold nanoparticle; Dodecanethiol; Coarse-grained model; Molecular dynamics simulation;
Modification of Martini force field for molecular dynamics simulation of hydrophobic charge induction chromatography of lysozyme
Keywords: مدل دانه درشت; Martini force field; Modification; Coarse-grained model; All-atom model; Protein adsorption; Desorption;
Structure-based design of carbon nanotubes as HIV-1 protease inhibitors: Atomistic and coarse-grained simulations
Keywords: مدل دانه درشت; HIV-1 protease; Carbon nanotubes; Molecular dynamics; Atomistic model; Coarse-grained model
Many Local Motions Cooperate to Produce the Adenylate Kinase Conformational Transition
Keywords: مدل دانه درشت; AK, adenylate kinase; TS, transition state; PMF, potential of mean forceallosteric transition; adenylate kinase; coarse-grained model; transition-state ensemble; enthalpy–entropy compensation
Mapping folding energy landscapes with theory and experiment
Keywords: مدل دانه درشت; Energy landscape; Coarse-grained model; Mutation; Misfolding and aggregation;
Packing of transmembrane helices in bacteriorhodopsin folding: Structure and thermodynamics
Keywords: مدل دانه درشت; Transmembrane helix packing; Structure prediction; Thermodynamics; Monte-Carlo simulations; Molecular dynamics simulations; Coarse-grained model;
Identification of Protein Interaction Partners and Protein–Protein Interaction Sites
Keywords: مدل دانه درشت; protein–protein interactions; docking simulations; coarse-grained model; binding site; binding interfaceCC-D, complete cross-docking; PDB, Protein Data Bank
Modeling of a propagation mechanism of infectious prion protein; a hexamer as the minimum infectious unit
Keywords: مدل دانه درشت; Go model; Coarse-grained model; Molecular dynamics; Prion disease; Amyloid;
Parallel adaptive simulated annealing for computer-aided measurement in functional MRI analysis
Keywords: مدل دانه درشت; Functional magnetic resonance imaging; Parallel simulated annealing; Coarse-grained model; Receiver operating characteristic; Jaccard similarity
A boundary element formulation of protein electrostatics with explicit ions
Keywords: مدل دانه درشت; Protein; Electrostatics; Boundary element method; Ionic strength; Explicit ions; Potential of mean force; Computer simulation; Coarse-grained model
Analytical first derivatives of the RE-squared interaction potential
Keywords: مدل دانه درشت; Lennard–Jones(6–12) potential; Coarse-grained model; Biaxial ellipsoidal potential; Analytical derivatives; Rigid-body MD simulation
Fluctuations and defects in lamellar stacks of amphiphilic bilayers
Keywords: مدل دانه درشت; 87.16.Dg; Membrane; Coarse-grained model; Molecular dynamics simulation;