Spontaneous translocation of cell-penetrating peptides across a model membrane using molecular dynamics simulations
Observing the spontaneous translocation of cell-penetrating peptides across a lipid bilayer in molecular dynamics simulations is …
Spontaneous translocation of cell-penetrating peptides using the weighted ensemble method within molecular dynamics simulations
Our findings demonstrate the occurrence of self-induced translocation of a specific cell-penetrating peptide (CPP) across a model …
Computational Insights and Phase Transition of Ruthenium Alloy by Classical Molecular Dynamics
Understanding the mechanism of metal solidification is of great theoretical significance and has practical importance. In this study, …
External electric field effect on the translocation of R-derivatives peptides across a symmetric lipid bilayer using umbrella sampling
Translating cargoes like nanoparticles (NP) and macromolecules like DNA and RNA across the model membrane through different …
Computational insights and phase transitions of ruthenium alloy using classical molecular dynamics
Evolution in melt structures with temperature during deep undercooling, forming uniform melt-free crystal sites, and the effect of the …
Translocation of cell-penetrating peptides using the weighted ensemble method within molecular dynamics simulations approach
We report spontaneous translocation of a single cell-penetrating peptide (CPP) across a model membrane using the weighted ensemble (WE) …
Translocation of a single Arg9 peptide across a DOPC/DOPG(4:1) model membrane using the weighted ensemble method
It is difficult to observe a spontaneous translocation of cell-penetrating peptides(CPPs) within a short time scale (e.g., a few …
Translocation of cell-penetrating peptides across a model membrane using molecular dynamics simulations
In this study, we report a single Arg9(R9) peptide translocation across a DOPC/DOPG(4:1) model membrane within an order of a few tens …
Translocation of a single Arg9 peptide across a DOPC/DOPG(4:1) model membrane using the weighted ensemble method
A spontaneous translocation of cell-penetrating peptides(CPPs) in all-atom molecular dynamics(MD) simulations is not expected within a …
Free energy analyses of cell-penetrating peptides using the weighted ensemble method
Cell-penetrating peptides (CPPs) have been widely used for drug-delivery agents; however, it has not been fully understood how they …
Free energy analyses of cell penetrating peptides using the weighted ensemble method
Cell penetrating peptides (CPPs) have been widely used for drug-delivery agents, however, it has not been fully understood how they …
Free energy analyses of cell penetrating peptides using the weighted ensemble method
Cell penetrating peptides (CPPs) have been widely used for drug-delivery agents, however, it has not been fully understood how they …
Enhancement of direct membrane penetration of cell-penetrating peptides (CPPs) by polyprolines
The transport mechanism of cell-penetrating peptides (CPPs) has not been fully understood and there seems no general rule to design …
Molecular dynamics studies of interactions between Arg9(nona-arginine) and a DOPC/DOPG(4:1) membrane
It has been known that the uptake mechanisms of cell-penetrating peptides (CPPs) depend on the experimental conditions such as the …
CMB spectral μ-distortion of multiple inflation scenario
In multiple inflation scenario having two inflations with an intermediate matter-dominated phase, the power spectrum is estimated to be …
Apparatus and method for managing study based on memo of e-book
An academic management apparatus and method based on memos of electronic books are disclosed. An academic management apparatus based on …
Apparatus and method for managing question of e-book
Disclosed are an apparatus and a method for managing a query about an E-book. The apparatus for managing a query about an E-book …
Stochastic steps in secondary active sugar transport
Secondary active transporters, such as those that adopt the leucine-transporter fold, are found in all domains of life, and they have …
Method and apparatus for content modularize
A content modularization method and apparatus are disclosed. According to an embodiment of the present invention, there is provided a …
Structural determinants of water permeation through the sodium-galactose transporter vSGLT
Sodium-glucose transporters (SGLTs) facilitate the movement of water across the cell membrane, playing a central role in cellular …
Insight into the Mechanism of Water Permeation through the Sodium-Galactose Transporter vSGLT from Long Molecular Dynamics Simulations
Sodium-glucose transporters (SGLTs) mediate sugar transport as well as water flow across the cell membrane. Using a series of long …
Energetics of Urea Permeation through Sodium-Dependent Galactose Cotransporter vSGLT
In human kidneys, the glomeruli filter about 54 g of urea from the blood each day and approximately 12-14 g of which is reabsorbed in …
Understanding Substrate Unbinding from the Sodium-Galactose Co-Transporter vSGLT based on 16 Microseconds of Molecular Simulation
We report the results from 16 microseconds of molecular dynamics (MD) simulations carried out on vSGLT using the Anton supercomputer at …
Water Permeation Through the Sodium-Dependent Galactose Cotransporter vSGLT
It is well accepted that cotransporters facilitate water movement by two independent mechanisms: osmotic flow through a water channel …
The mechanism of sodium and substrate release from the binding pocket of vSGLT
Membrane co-transport proteins that use a five-helix inverted repeat motif have recently emerged as one of the largest structural …
Water permeation through the sodium-dependent galactose cotransporter vSGLT
It is well accepted that cotransporters facilitate water movement by two independent mechanisms: osmotic flow through a water channel …
Computational Approaches to Understanding the Mechanism of Transport in the Na+/Galactose Co-Transporter vSGLT
A number of recent high resolution structures suggest that a larger family of cation coupled substrate transporters share a common core …
Conformational dynamics of the inner pore helix of voltage-gated potassium channels
Voltage-gated potassium (Kv) channels control the electrical excitability of neurons and muscles. Despite this key role, how these …
Molecular dynamics simulation study of a pulmonary surfactant film interacting with a carbonaceous nanoparticle
This article reports an all-atom molecular dynamics simulation to study a model pulmonary surfactant film interacting with a …
A continuum method for determining membrane protein insertion energies and the problem of charged residues
Continuum electrostatic approaches have been extremely successful at describing the charged nature of soluble proteins and how they …
Lyapunov instability of rigid diatomic molecules in three dimensions: A simpler method
We present a method to calculate Lyapunov exponents of rigid diatomic molecules in three dimensions (12N-dimensional phase space). The …
Bending elasticity of anti-parallel β-sheets
Using a coarse-grained elastic model, we examine the bending properties of anti-parallel β-sheets comprised of uniform amino-acid …
The elasticity of α-helices
The elasticity of α-helices is examined using equilibrium molecular-dynamics simulations. From the statistics of curvatures and twists, …
Spin-3/2 nucleon and Δ baryons in lattice QCD
We present the first results for masses of spin-3/2 N and Δ baryons in lattice QCD using fat-link irrelevant clover fermions. Spin-3/2 …
Quenched charmonium spectrum
We study charmonium using the standard relativistic formalism in the quenched approximation, on a set of lattices with isotropic …
Spin-3/2 baryons in lattice QCD
We present first results for masses ofspin-3/2 baryons in lattice QCD, using a novel fat-link clover fermion action in which only the …
Responses of quark condensates to the chemical potential
The responses of quark condensates to the chemical potential, as a function of temperature T and chemical potential μ, are calculated …
The Structure in Mesonic Channels above Tc
Quark-antiquark 4-point correlators in the mesonic channels at are studied on the lattice to obtain insight into the hadronic and …
Study on the 2nd Responses of Hadronic Masses to Chemical Potential at Finite Temperature
Responses of screening mass of the pseudoscalar meson and chiral condensate in lattice QCD are investigated. On a 16× 8^ 2× 4 lattice …
Screening mass responses to chemical potential at finite temperature
Responses to chemical potential of the pseudoscalar meson screening mass and the chiral condensate in lattice QCD are investigated. On …
Quenched charmonium near the continuum limit
We study relativistic charmonium on very fine quenched lattices (β = 6.4 and 6.6). We concentrate on the calculation of the hyperfine …
N* masses from an anisotropic lattice QCD action
We report N* masses in the spin-3 2 sector from a highly-improved anisotropic action. States with both positive and negative parity are …
Chemical potential response of pseudoscalar meson masses in the Nambu--Jona-Lasinio model
Using the Nambu—Jona-Lasinio (NJL) model we study chemical potential response of the pion and kaon masses as a function of temperature …
Lattice tool kit in Fortran90
We report a project to provide a set of free source codes for lattice QCD. The programs may be used as fundamental blocks when one …
∂m/∂μ in the Nambu-Jona-Lasinio model
Using the Nambu-Jona-Lasinio (NJL) model we study responses of the pion and kaon masses to changes in the chemical potential, ∂m/∂μ, at …
Responses of hadrons to the chemical potential at finite temperature
We present a framework to compute the responses of hadron masses to the chemical potential in lattice QCD simulations. As a first …
Nucleon resonance phenomenology from lattice QCD
The CLAS program at Jefferson Lab will focus on the low-lying odd-parity spin-1/2 and 3/2 baryon resonances of the nucleon. These …
Kaon-baryon coupling constants in the QCD sum rule approach
We improve our previous QCD sum rule calculation on g KN Λ and g KN Σ coupling constants by including the contributions from higher …
Multiquark picture for Σ (1620)
In this work we report on a new QCD sum rule analysis to predict masses of the excited baryon states (e.g. Σ (1620) and Λ (1405)) by …
Multiquark picture for Lambda (1405) and Sigma (1620)
We propose a new QCD sum rule analysis for the Λ (1405) and the Σ (1620). Using the I=0 and I=1 multiquark sum rules we predict their …
Λ (1405) as a multiquark state
In the QCD sum rule approach we predict the Λ (1405) mass by choosing the π0Σ0 multiquark interpolating field. It is found that the …
Sign convention of residues in QCD sum rules
We show that signs of pole residues λN,λΛ,λΣ,λΞ for 12+ octet baryons are identical in the QCD sum rule approach. To do this we compare …
fK/fpi Ratio from QCD Sum Rules
Using the correlation function of the axial vector mesons, we present a QCD sum rule calculation for the decay constants fπ and fK. Our …
gπΛΣ and gKΣΞ from QCD sum rules
The coupling constants gπΛΣ and gKΣΞ are calculated in the QCD sum rule approach using the three-point function method and taking into …
Multiquark states and QCD sum rules
There have been arguments about hadronic molecules, which are weakly-bound states of two or more hadrons. We investigate the …
gKNΛ and gKNΣ from QCD sum rules
g KN Λ and g KN Σ are calculated using a QCD sum rule motivated method used by Reinders, Rubinstein, and Yazaki to extract hadron …
QCD sum rules and chiral logarithms
Standard QCD sum-rule analyses of the nucleon mass give results that are inconistent with chiral perturbation theory due to an overly …
Twist-4 matrix elements of the nucleon from recent DIS data at CERN and SLAC
By using the next-to-leading order analyses of the precision lepton-hadron deep inelastic measurements at CERN and SLAC, we extract …
