Subjects: Advection diffusion equation. / Characteristic exponents. / Dimensionless parameters. / First passage time. / First passage time distributions. / Heterogeneous polymers. / Mean waiting time. / Monte Carlo Simulation. / Polymer translocation. / Power-law dependences. / Reaction coordinates. / Stiff polymers. / Translocation dynamics. / Translocation process. / Waiting time. / Advection. / Binding energy. / Chain length. / Electron transitions. / Monte Carlo methods. / Nanopores. / Partial differential equations. / Polymers. / Probability distributions. / Probability density function. / Polymer. / Chemical model. / Chemistry. / Nanopore. / Computer Simulation. / Diffusion. / Models, Chemical. / Monte Carlo Method.

Conservation of statistical results under the reduction of pair-contact interactions to solvation interactions

Author: Radja, N.H.

Pub. Year: 2005

Subjects: Additives. / Hydrophilicity. / Mathematical models. / Proteins. / Structural design. / Vectors. / Interactions. / Miyazawa-Jernigan interactions. / Solvation. / Contacts (fluid mechanics) / Amino acid. / Protein. / Protein binding. / Solvent. / Binding site. / Chemical model. / Chemical structure. / Chemistry. / Computer simulation. / Protein conformation. / Statistical model. / Amino Acids. / Binding Sites. / Models, Chemical. / Models, Molecular. / Models, Statistical. / Solvents.

Coarse-grained interaction potentials for anisotropic molecules

Author: Babadi, M.

Pub. Year: 2006

Subjects: Atomic physics. / Elasticity. / Particles (particulate matter) / Vibrations (mechanical) / Atomistic summations. / Coarse-grained models. / Gay Berne potential. / Interaction potentials. / Molecular dynamics.

Cooperation within von Willebrand factors enhances adsorption mechanism

Author: Heidari, M.

Publisher: Royal Society of London,

Pub. Year: 2015

Subjects: Coarse-grained modelling. / Collagen. / Glycoproteins. / Shear deformation. / Van der Waals forces. / Adsorption mechanism. / Adsorption probabilities. / Coarse grained models. / Coarse-grained. / Cooperativity. / Hydrodynamic interaction. / Van Der waals interactions. / Von willebrand factor. / Adsorption. / Collagen receptor. / Adsorption kinetics. / Adsorption probability. / Coarse grained model. / Collagen fiber. / Hydrodynamics. / Model. / Protein cooperativity. / Protein function. / Shear flow. / Simulation. / Statistical parameters.

Confined nematic liquid crystal between two spherical boundaries with planar anchoring

Author: Seyednejad, S. R.

Pub. Year: 2013

Subjects: Tetrahedral configurations. / Degree of asymmetry. / Electro-optical applications. / Free energy landscape. / Nematic shells. / Spherical boundary. / Spherical shell. / Disclination lines. / Defects. / Drops. / Elasticity. / Free energy. / Shells (structures) / Textures. / Nematic liquid crystals.

Monte Carlo simulation of a lattice model for the dynamics of randomly branching double-folded ring polymers

Author: Ghobadpour, E.

Publisher: American Physical Society,

Pub. Year: 2021

Subjects: Chromosomes. / Crystal lattices. / Dynamics. / Forestry. / Polymers. / Trees (mathematics) / Connectivity graph. / Diffusive mass transport. / Excluded-volume interactions. / Qualitative differences. / Scaling theories. / Static properties. / Territorial behaviors. / Universality class. / Monte Carlo methods.

Low-Reynolds-number predator

Author: Ebrahimian, M.

Publisher: American Physical Society,

Pub. Year: 2015

Subjects: Biochemistry. / Consumer behavior. / Enzymes. / Reynolds number. / Bead-spring models. / Chemical activators. / Contraction rate. / Higher dimensions. / Low Reynolds number. / Mechanochemicals. / Random walkers. / Three dimensions. / Bifurcation (mathematics)

Directed motion of C60 on a graphene sheet subjected to a temperature gradient

Author: Lohrasebi, A.

Pub. Year: 2011

Subjects: Driving mechanism. / Graphene sheets. / Nano scale. / Nonequilibrium molecular dynamics simulation. / Temperature gradient. / Molecular dynamics. / Molecules. / Thermal gradients. / Graphene.

A modified Jarzynski free-energy estimator to eliminate non-conservative forces and its application in nanoparticle-membrane interactions

Author: Hosseini, A. N.

Publisher: Royal Society of Chemistry,

Pub. Year: 2022

Subjects: Molecular dynamics. / Nanoparticles. / Biomolecular process. / Coated nanoparticles. / Force application. / ITS applications. / Membrane interactions. / Nanoparticle membranes. / Nanoparticle uptakes. / Nanoscale levels. / Non-conservative forces. / Time-scales. / Free energy. / Nanoparticle. / Entropy. / Molecular dynamics. / Thermodynamics. / Entropy. / Molecular Dynamics Simulation. / Nanoparticles. / Thermodynamics.

Electronic polarization effects on membrane translocation of anti-cancer drugs

Author: Najla Hosseini, A.

Publisher: Royal Society of Chemistry,

Pub. Year: 2022

Subjects: Diseases. / Molecules. / Phospholipids. / Polarization. / Solvents. / Anticancer drug. / Biomolecular interactions. / Electronic polarization. / Electronic polarization effect. / Free-energy calculations. / Membrane translocation. / Predictive capabilities. / Quantum levels. / Switching model. / Theoretical study. / Free energy.

Nanomechanical properties of lipid bilayer: Asymmetric modulation of lateral pressure and surface tension due to protein insertion in one leaflet of a bilayer

Author: Maftouni, N.

Pub. Year: 2013

Subjects: Proteins. / Molecular dynamics. / Coarse-grained molecular dynamics simulations. / Cytotoxins. / First moments. / Integral part. / Inter-molecular forces. / Lateral pressures. / Lipid membranes. / Living cell. / Molecular dynamics simulations. / Nanomechanical property. / Phosphatidylcholine. / Pressure tensors. / Snake venoms. / Chemical bonds. / Lipid bilayers. / Lipids. / Mechanical properties. / Bi-layer. / Molecular mechanics. / Monolayers. / Asymmetric modulations. / Surface tension. / Cerebratulus lacteus toxin a iii. / Cerebratulus lacteus toxin A-III. / Marine toxin. / Cell membrane. / Chemical structure. / Chemistry. / lipid bilayer. / Metabolism. / Nanotechnology. / Pressure. / Marine Toxins. / Models, Molecular. / Molecular Dynamics Simulation.

Erratum: Publishers Note: Nanomechanical properties of lipid bilayer: Asymmetric modulation of lateral pressure and surface tension due to protein insertion in one leaflet of a bilayer (Journal of Chemical Physics (2013)138 (065101))

Author: Maftouni, N.

Pub. Year: 2013

Molecular dynamics simulation of supercoiled DNA rings

Author: Fathizadeh, A.

Publisher: American Chemical Society,

Pub. Year: 2015

Subjects: DNA. / Molecular dynamics. / Coarse-grained. / DNA supercoiling. / Dynamical effects. / Molecular dynamics methods. / Molecular dynamics simulations. / Simulation studies. / Supercoiled DNA. / Two dimensional spaces. / Bioinformatics.

Counterintuitive properties of evolutionary measures: A stochastic process study in cyclic population structures with periodic environments

Author: Nemati, H.

Publisher: Academic Press,

Pub. Year: 2023

Subjects: Evolutionary graphs. / Heterogeneous environments. / Natural selection. / Population genetics. / Stochastic evolution.

S494 O-glycosylation site on the SARS-CoV-2 RBD affects the virus affinity to ACE2 and its infectivity; a molecular dynamics study

Author: Rahnama, S.

Publisher: Nature Research,

Pub. Year: 2021

Subjects: ACE2 protein, human. / coronavirus spike glycoprotein. / protein binding. / spike protein, SARS-CoV-2. / binding site. / chemistry. / glycosylation. / human. / metabolism. / molecular dynamics. / physiology. / protein domain. / Angiotensin-Converting Enzyme 2. / Binding Sites. / COVID-19. / Glycosylation. / Host Microbial Interactions. / Humans. / Molecular Dynamics Simulation. / Protein Domains. / SARS-CoV-2. / Spike Glycoprotein, Coronavirus.

Molecular mechanism of glycosylated IL-1RII counteraction with IL-1RI in regulation of the immune response

Author: Jamshidi Khameneh, N.

Publisher: Taylor and Francis Ltd,

Pub. Year: 2023

Subjects: Glycosylation. / IL-1RII. / Immune response. / Molecular dynamics simulation.

Rotational regimes of freely suspended liquid crystal films under electric current in presence of an external electric field

Author: Shirsavar, R.

Pub. Year: 2012

Subjects: Fluid film motor. / Nematic liquid crystal. / Vortex. / Current direction. / Electeronematic effect. / Electrical field. / Experimental observation. / External electric field. / Fluid films. / Freely suspended film. / Liquid crystal films. / Pure-rotation. / Electrohydrodynamics. / Liquid films. / Nematic liquid crystals. / Organic compounds. / Vortex flow.

A liquid film motor

Author: Amjadi, A.

Pub. Year: 2009

Subjects: Electro-hydrodynamics. / Liquid film. / Dc and ac fields. / Electrolysis cells. / Electrolysis currents. / External fields. / Full controls. / Hydrodynamical effects. / In-plane electric fields. / Rotating vortices. / Suspended films. / Two-dimensional. / Vortex. / Electric fields. / Electrochemistry. / Electrohydrodynamics. / Electrolytic cells. / Fluid dynamics. / Liquid films. / Motors. / Rotation. / Stereochemistry. / Thin films. / Vortex flow. / Electrolysis.

Fractal nematic colloids

Author: Hashemi, S.M.

Publisher: Nature Publishing Group,

Pub. Year: 2017

Subjects: Polymer. / Colloid. / Fractal analysis. / Geometry. / Laser. / Microscopy. / Numerical model. / Pattern recognition. / polarization. / Topology. / Anisotropy. / Article. / Conformation. / Particle size. / Polarization microscopy. / Polymerization. / Surface property.

Gating and conduction of nano-channel forming proteins: A computational approach

Author: Besya, A. B.

Pub. Year: 2013

Subjects: Biophysics. / Elastic network model. / Membrane proteins. / Normal mode analysis. / Alpha hemolysin. / Outer membrane protein. / Outer membrane protein A. / Outer membrane protein F. / Porin. / TolC protein. / Channel gating. / Mathematical computing. / Membrane channel. / Membrane structure. / Molecular dynamics. / Molecular model. / Porosity. / Priority journal. / Protein function. / Protein structure. / Structure analysis. / Vibration. / Voltage clamp. / Bacterial Proteins. / Ion Channels. / Models, Molecular. / Molecular Dynamics Simulation. / Porins. / Protein Conformation.

Total 24032 records