期刊文献+
共找到17篇文章
< 1 >
每页显示 20 50 100
A Direct Implementation of a Modified Boundary Integral Formulation for the Extended Fisher-Kolmogorov Equation 被引量:3
1
作者 Okey Oseloka Onyejekwe 《Journal of Applied Mathematics and Physics》 2015年第10期1262-1269,共8页
This study is concerned with the numerical approximation of the extended Fisher-Kolmogorov equation with a modified boundary integral method. A key aspect of this formulation is that it relaxes the domain-driven appro... This study is concerned with the numerical approximation of the extended Fisher-Kolmogorov equation with a modified boundary integral method. A key aspect of this formulation is that it relaxes the domain-driven approach of a typical boundary element (BEM) technique. While its discretization keeps faith with the second order accurate BEM formulation, its implementation is element-based. This leads to a local solution of all integral equation and their final assembly into a slender and banded coefficient matrix which is far easier to manipulate numerically. This outcome is much better than working with BEM’s fully populated coefficient matrices resulting from a numerical encounter with the problem domain especially for nonlinear, transient, and heterogeneous problems. Faithful results of high accuracy are achieved when the results obtained herein are compared with those available in literature. 展开更多
关键词 BOUNDARY Element Method EXTENDED Fisher-Kolmogorov Equation BOUNDARY Integral FORMULATION Slender Coefficient Matrix HYBRIDIZATION Domain-Driven
在线阅读 下载PDF
Gravitational effects on global hemodynamics in different postures:A closed-loop multiscale mathematical analysis 被引量:2
2
作者 Xiancheng Zhang Shigeho Noda +1 位作者 Ryutaro Himeno Hao Liu 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2017年第3期595-618,共24页
We present a novel methodology and strategy to predict pressures and flow rates in the global cardiovascular network in different postures varying from supine to upright. A closed-loop, multiscale mathematical model o... We present a novel methodology and strategy to predict pressures and flow rates in the global cardiovascular network in different postures varying from supine to upright. A closed-loop, multiscale mathematical model of the entire cardiovascular system (CVS) is developed through an integration of one-dimensional (1D) modeling of the large systemic arteries and veins, and zero-dimensional (0D) lumped-parameter modeling of the heart, the cardiac-pulmonary circulation, the cardiac and venous valves, as well as the microcirculation. A versatile junction model is proposed and incorporated into the 1D model to cope with splitting and/or merging flows across a multibranched junction, which is validated to be capable of estimating both subcritical and supercritical flows while ensuring the mass conservation and total pressure continuity. To model gravitational effects on global hemodynamics during postural change, a robust venous valve model is further established for the 1D venous flows and distributed throughout the entire venous network with consideration of its anatomically realistic numbers and locations. The present integrated model is proven to enable reasonable prediction of pressure and flow rate waveforms associated with cardiopulmonary circulation, systemic circulation in arteries and veins, as well as microcirculation within normal physiological ranges, particularly in mean venous pressures, which well match the in vivo measurements. Applications of the cardiovascular model at different postures demonstrate that gravity exerts remarkable influence on arterial and venous pressures, venous returns and cardiac outputs whereas venous pressures below the heart level show a specific correlation between central venous and hydrostatic pressures in right atrium and veins. 展开更多
关键词 Gravitational effects Cardiovascular system (CVS) Postural change Multiscale cardiovascular model Multibranched junction model Venous valve
在线阅读 下载PDF
<i>Ab-Initio</i>Computations of Electronic, Transport, and Structural Properties of <i>zinc-blende</i>Beryllium Selenide (<i>zb</i>-BeSe) 被引量:1
3
作者 Richard Inakpenu Cheick Bamba +4 位作者 Ifeanyi H. Nwigboji Lashounda Franklin Yuriy Malozovsky Guang-Lin Zhao Diola Bagayoko 《Journal of Modern Physics》 2017年第4期552-566,共15页
We report results from several ab-initio computations of electronic, transport and bulk properties of zinc-blende beryllium selenide (zb-BeSe). Our nonrelativistic calculations utilized a local density approximation (... We report results from several ab-initio computations of electronic, transport and bulk properties of zinc-blende beryllium selenide (zb-BeSe). Our nonrelativistic calculations utilized a local density approximation (LDA) potential and the linear combination of atomic orbitals (LCAO). The key distinction of our calculations from other DFT calculations is the implementation of the Bagayoko, Zhao and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF), in the LCAO formalism. Our calculated, indirect band gap is 5.46 eV, from &Gamma;to a conduction band minimum between Г and X, for a room temperature lattice constant of 5.152 &Aring;. Available, room temperature experimental band gaps of 5.5 (direct) and 4 - 4.5 (unspecified) point to the need for additional measurements of this gap. Our calculated bulk modulus of 92.35 GPa is in excellent agreement with experiment (92.2 &plusmn;?1.8 GPa). Our predicted equilibrium lattice constant and band gap, at zero temperature, are 5.0438 &Aring;and 5.4 eV, respectively. 展开更多
关键词 Density Functional Theory (DFT) LDA Ab-Initio Calculations Band Gap BZW-EF Method
在线阅读 下载PDF
Numerical Discrete-Domain Integral Formulations for Generalized Burger-Fisher Equation
4
作者 Okey Oseloka Onyejekwe Beruk Minale +6 位作者 Fikru Habtamu Tesfaye Amha Getenet Tamiru Bethelhem Mengistu Yohaness Demiss Nahom Alemseged Computational Science and Dynamics Systems Group 《Applied Mathematics》 2020年第3期137-145,共9页
In this study we use a boundary integral element-based numerical technique to solve the generalized Burger-Fisher equation. The essential feature of this method is the fundamental integral representation of the soluti... In this study we use a boundary integral element-based numerical technique to solve the generalized Burger-Fisher equation. The essential feature of this method is the fundamental integral representation of the solution inside the problem domain by means of both the boundary and domain values. The occurrences of domain integrals within the problem arising from nonlinearity as well as the temporal derivative are not avoided or transferred to the boundary. However, unlike the classical boundary element approach, they are resolved within a finite-element-type discrete domain. The utility and correctness of this formulation are proved by comparing the results obtained herein with closed form solutions. 展开更多
关键词 Burger-Fisher Equation DOMAIN INTEGRALS BOUNDARY Element Finite-Element-Type Discrete DOMAIN BOUNDARY Integral Numerical NONLINEARITY
在线阅读 下载PDF
Numerical Calculations for a Boundary Layer Flow past a Moving Vertical Porous Plate with Suction/Injection and Thermal Radiation
5
作者 Okey Oseloka Onyejekwe Yohannes Demiss Belete Nahom Alemseged Worku 《Applied Mathematics》 2020年第3期172-183,共12页
The work presented herein investigates the velocity, heat transfer, Nusselt number and skin friction profiles involved in boundary layer flow past a moving vertical porous plate. Similarity transformations are employe... The work presented herein investigates the velocity, heat transfer, Nusselt number and skin friction profiles involved in boundary layer flow past a moving vertical porous plate. Similarity transformations are employed to convert the governing nonlinear unsteady momentum and energy equations from their partial differential equation forms to boundary value ordinary differential equations. The resulting equations are then solved numerically by the Runge-Kutta fourth order method with the help of a shooting technique. Several features of the flow and heat transfer characteristics for different values of problem parameters are analyzed and discussed. These include the effects of the radiation parameter (R), suction and injection parameter (c), Grashof (Gr) and Prandtl (Pr) numbers on the flow and heat profiles. Numerical results show the impact of blowing and sucking as well as radation on boundary layer flows of this type. Both the skin frictions as well as the heat transfer rate are also significantly related to the radiation parameter. For all these cases;the numerical results are found to be in agreement with the physics of the problem. 展开更多
关键词 MOMENTUM and Energy Grashof NUMBER Prandtl NUMBER Similarity Transformation RADIATION Parameter SUCTION BLOWING RADIATION Po-rous Plate
在线阅读 下载PDF
Simplified Integral Calculations for Radial Fin with Temperature-Dependent Thermal Conductivity
6
作者 Okey Oseloka Onyejekwe 《Journal of Applied Mathematics and Physics》 2019年第3期513-526,共14页
Numerical solution of a radiative radial fin with temperature-dependent thermal conductivity is presented. Calculations are implemented along the lines of a boundary integral technique coupled with domain discretizati... Numerical solution of a radiative radial fin with temperature-dependent thermal conductivity is presented. Calculations are implemented along the lines of a boundary integral technique coupled with domain discretization. Localized solutions of the nonlinear governing differential equation are sought on each element of the problem domain after enforcing inter-nodal connectivity as well as the boundary conditions for the dependent variables. A finite element-type assembly of the element equations and matrix solution yield the scalar profile. Comparison of the numerical results with those found in literature validates the formulation. The effects of such problem parameters as radiation-sink temperature, thermal conductivity, radiation-conduction fin parameter, volumetric heat generation, on the scalar profile were found to be in conformity with the physics of the problem. We also observed from this study that the volumetric heat generation plays a significant role in the overall heat transfer activity for a fin. For relatively high values of internal heat generation, a situation arises where a greater percentage of this energy can not escape to the environment and the fin ends up gaining energy instead of losing it. And the overall fin performance deteriorates. The same can also be said for the radiation-conduction parameter , whose increases can only give physically realistic results below a certain threshold value. 展开更多
关键词 RADIATIVE RADIAL FIN TEMPERATURE-DEPENDENT Thermal CONDUCTIVITY Discretized Problem Domain Boundary INTEGRAL Technique Generic Elements Assembly of Element Equations
在线阅读 下载PDF
The Effect of Time-Stepping on the Accuracy of Green Element Formulation of Unsteady Convective Transport
7
作者 Okey Oseloka Onyejekwe 《Journal of Applied Mathematics and Physics》 2014年第7期621-633,共13页
Despite the significant number of boundary element method (BEM) solutions of time-dependent problems, certain concerns still need to be addressed. Foremost among these is the impact of different time discretization sc... Despite the significant number of boundary element method (BEM) solutions of time-dependent problems, certain concerns still need to be addressed. Foremost among these is the impact of different time discretization schemes on the accuracy of BEM modeling. Although very accurate for steady-state problems, the boundary element methods more often than not are computationally challenged when applied to transient problems. For the work reported herein, we investigate the level of accuracy achieved with different time-discretization schemes for the Green element method (GEM) solution of the unsteady convective transport equation. The Green element method (a modified BEM formulation) solves the boundary integral theory (A Fredholm integral equation of the second kind) on a generic element of the problem domain in a way that is typical of the finite element method (FEM). In this integration process a new system of discrete equations is produced which is banded and hence amenable to matrix manipulations. This is subsequently deployed to investigate the proper resolution in both space and time for the chosen transient 1D transport problems especially those involving shock wave propagation and different types of boundary conditions. It is found that for three out of the four numerical models developed in this study, the new system of discrete element equations generated for both space and temporal domains exhibits accurate characteristics even for cases involving advection-dominant transport. And for all the cases considered, the overall performance relies heavily on the temporal discretization scheme adopted. 展开更多
关键词 Boundary ELEMENT METHOD Green ELEMENT METHOD UNSTEADY CONVECTIVE TRANSPORT Equation Advection DOMINANT TRANSPORT
在线阅读 下载PDF
Application of Optimal Control to the Epidemiology of Dengue Fever Transmission
8
作者 Okey Oseloka Onyejekwe Ayalnesh Tigabie +1 位作者 Biruk Ambachew Abebe Alemu 《Journal of Applied Mathematics and Physics》 2019年第1期148-165,共18页
In this paper, we build an epidemiological model to investigate the dynamics of the spread of dengue fever in human population. We apply optimal control theory via the Pontryagins Minimum Principle together with the R... In this paper, we build an epidemiological model to investigate the dynamics of the spread of dengue fever in human population. We apply optimal control theory via the Pontryagins Minimum Principle together with the Runge-Kutta solution technique to a “simple” SEIRS disease model. Controls representing education and drug therapy treatment are incorporated to reduce the latently infected and actively infected individual populations. The overall thrust is the minimization of the spread of the disease in a population by adopting an optimization technique as a guideline. 展开更多
关键词 EPIDEMIOLOGICAL Model SEIRS DENGUE FEVER Optimal Control Pontryagins Minimum Principle FOURTH-ORDER RUNGE-KUTTA
在线阅读 下载PDF
Epidemiological Study and Optimal Control for Lumpy Skin Disease (LSD) in Ethiopia
9
作者 Okey Oseloka Onyejekwe Abebe Alemu +1 位作者 Biruk Ambachew Ayalnesh Tigabie 《Advances in Infectious Diseases》 2019年第1期8-24,共17页
Lumpy skin disease (LSD) is an infectious, fatal skin disease of cattle caused by a virus of the family Poxviridae (genus Capripox). In addition, severely affected animals suffer from reduced weight, cessation of milk... Lumpy skin disease (LSD) is an infectious, fatal skin disease of cattle caused by a virus of the family Poxviridae (genus Capripox). In addition, severely affected animals suffer from reduced weight, cessation of milk production and infertility. The aim of this paper is to computationally apply epidemiological (SEIR) and optimal control (OC) techniques to study the transmission and the impact of vaccination on LSD. Based on our numerical experiments, we were able to deduce the overall impact of the optimal strategy adopted for this study on the cattle population for vaccination rates within the range of 0 ≤ v ≤ 0.85. It is shown that the vaccination as a control strategy significantly reduced the effects of LSD on the cattle population if properly managed and that an optimal performance of the control strategy adopted hererin is achieved at an approximate value of v = 0.6. 展开更多
关键词 Lumpy SKIN DISEASE LSD OPTIMAL Control EPIDEMIOLOGY SEIR
在线阅读 下载PDF
Application of Multiple Sensor Data Fusion for the Analysis of Human Dynamic Behavior in Space: Assessment and Evaluation of Mobility-Related Functional Impairments
10
作者 Thompson Sarkodie-Gyan Huiying Yu +2 位作者 Melaku Bogale Noe Vargas Hernandez Miguel Pirela-Cruz 《Journal of Biomedical Science and Engineering》 2017年第4期182-203,共22页
The authors have applied a systems analysis approach to describe the musculoskeletal system as consisting of a stack of superimposed kinematic hier-archical segments in which each lower segment tends to transfer its m... The authors have applied a systems analysis approach to describe the musculoskeletal system as consisting of a stack of superimposed kinematic hier-archical segments in which each lower segment tends to transfer its motion to the other superimposed segments. This segmental chain enables the derivation of both conscious perception and sensory control of action in space. This applied systems analysis approach involves the measurements of the complex motor behavior in order to elucidate the fusion of multiple sensor data for the reliable and efficient acquisition of the kinetic, kinematics and electromyographic data of the human spatial behavior. The acquired kinematic and related kinetic signals represent attributive features of the internal recon-struction of the physical links between the superimposed body segments. In-deed, this reconstruction of the physical links was established as a result of the fusion of the multiple sensor data. Furthermore, this acquired kinematics, kinetics and electromyographic data provided detailed means to record, annotate, process, transmit, and display pertinent information derived from the musculoskeletal system to quantify and differentiate between subjects with mobility-related disabilities and able-bodied subjects, and enabled an inference into the active neural processes underlying balance reactions. To gain insight into the basis for this long-term dependence, the authors have applied the fusion of multiple sensor data to investigate the effects of Cerebral Palsy, Multiple Sclerosis and Diabetic Neuropathy conditions, on biomechanical/neurophysiological changes that may alter the ability of the human loco-motor system to generate ambulation, balance and posture. 展开更多
关键词 Superimposed BODY SEGMENTS Transfer FUNCTIONS MULTIPLE Sensor Data Fusion MUSCULOSKELETAL System
在线阅读 下载PDF
A Domain-Boundary Integral Treatment of Transient Scalar Transport with Memory
11
作者 Okey Oseloka Onyejekwe 《Applied Mathematics》 2016年第11期1241-1247,共7页
It is well known that the boundary element method (BEM) is capable of converting a boundary- value equation into its discrete analog by a judicious application of the Green’s identity and complementary equation. Howe... It is well known that the boundary element method (BEM) is capable of converting a boundary- value equation into its discrete analog by a judicious application of the Green’s identity and complementary equation. However, for many challenging problems, the fundamental solution is either not available in a cheaply computable form or does not exist at all. Even when the fundamental solution does exist, it appears in a form that is highly non-local which inadvertently leads to a sys-tem of equations with a fully populated matrix. In this paper, fundamental solution of an auxiliary form of a governing partial differential equation coupled with the Green identity is used to discretize and localize an integro-partial differential transport equation by conversion into a boundary-domain form amenable to a hybrid boundary integral numerical formulation. It is observed that the numerical technique applied herein is able to accurately represent numerical and closed form solutions available in literature. 展开更多
关键词 Boundary Element Method Green’s Identity Complementary Equation Fundamental Solution Hybrid Formulation Integro-Differential Transport Equation
在线阅读 下载PDF
Incompressible Flow and Heat Transfer over a Plate: A Hybrid Integral Domain-Discretized Numerical Procedure
12
作者 Okey Oseloka Onyejekwe 《Applied Mathematics》 2016年第13期1426-1439,共14页
This work deals with incompressible two-dimensional viscous flow over a semi-infinite plate ac-cording to the approximations resulting from Prandtl boundary layer theory. The governing non-linear coupled partial diffe... This work deals with incompressible two-dimensional viscous flow over a semi-infinite plate ac-cording to the approximations resulting from Prandtl boundary layer theory. The governing non-linear coupled partial differential equations describing laminar flow are converted to a self-simi- lar type third order ordinary differential equation known as the Falkner-Skan equation. For the purposes of a numerical solution, the Falkner-Skan equation is converted to a system of first order ordinary differential equations. These are numerically addressed by the conventional shooting and bisection methods coupled with the Runge-Kutta technique. However the accompanying energy equation lends itself to a hybrid numerical finite element-boundary integral application. An appropriate complementary differential equation as well as the Green second identity paves the way for the integral representation of the energy equation. This is followed by a finite element-type discretization of the problem domain. Based on the quality of the results obtained herein, a strong case is made for a hybrid numerical scheme as a useful approach for the numerical resolution of boundary layer flows and species transport. Thanks to the sparsity of the resulting coefficient matrix, the solution profiles not only agree with those of similar problems in literature but also are in consonance with the physics they represent. 展开更多
关键词 Falkner Skan Equation Energy Equation Boundary Integral Theory Hybrid Numerical Scheme Complementary Differential Equation
在线阅读 下载PDF
Characterization and quantification of gait deficits within gait phases using fuzzy-granular computing
13
作者 Melaku A. Bogale Huiying Yu +1 位作者 Thompson Sarkodie-Gyan Amr Abdelgawad 《Journal of Biomedical Science and Engineering》 2012年第12期720-728,共9页
People with neurological disorders like Cerebral Palsy (CP) and Multiple Sclerosis (MS) suffer associated functional gait problems. The symptoms and sign of these gait deficits are different between subjects and even ... People with neurological disorders like Cerebral Palsy (CP) and Multiple Sclerosis (MS) suffer associated functional gait problems. The symptoms and sign of these gait deficits are different between subjects and even within a subject at different stage of the disease. Identifying these gait related abnormalities helps in the treatment planning and rehabilitation process. The current gait assessment process does not provide very specific information within the seven gait phases. The objective of this study is to investigate the possible application of granular computing to quantify gait parameters within the seven gait phases. In this process we applied fuzzy-granular computing on the vertical ground reaction force (VGRF) and surface electromyography (sEMG) data to obtain respective characteristic values for each gait phase. A fuzzy similarity (FS) measure is used to compare patient values with age and sex matched control able-bodied group. We specifically applied and tested this approach on 10 patients (4 Cerebral Palsy and 6 Multiple Sclerosis) to identify possible gait abnormalities. Different FS values for VGRF for right and left leg is observed. The VGRF analysis shows smaller FS values during the swing phase in CP and MS subjects that are evidence of associated stability problem. Similarly, FS values for muscle activates of the four-selected muscle display a broad range of values due to difference between subjects. Degraded FS values for different muscles at different stage of the gait cycle are reported. Smaller FS values are sign of abnormal activity of the respective muscles. This approach provides individual centered and very specific information within the gait phases that can be employed for diagnosis, treatment and rehabilitation process. 展开更多
关键词 Fuzzy-Granular Algorithm GAIT PHASES FUZZY Similarity Cerebral PALSY Multiple SCLEROSIS
在线阅读 下载PDF
A Semi-Analytical Approach to Green's Functions for Problems in Multiply-Connected Regions on a Spherical Surface
14
作者 V.N. Borodin 《Journal of Mathematics and System Science》 2013年第12期597-601,共5页
This work aims at potential fields generated by point sources in conductive perforated fragments of spherical shells. Such fields are interpreted as profiles of Green's functions of relevant boundary-value problems s... This work aims at potential fields generated by point sources in conductive perforated fragments of spherical shells. Such fields are interpreted as profiles of Green's functions of relevant boundary-value problems stated in multiply-connected regions for Laplace equation written in geographical coordinates. Those are efficiently computed by a modification of the method of functional equations, with closed analytical forms preliminary obtained for Green's functions for the corresponding simply-connected regions. 展开更多
关键词 Green's function Laplace equation spherical coordinates surfaces with apertures.
在线阅读 下载PDF
Multifaceted Disparities Associated with Translator Earnings: A Quantitative Study of Upwork Profiles
15
作者 Tyler Horan 《Journal of Social Computing》 EI 2024年第1期88-100,共13页
This study aims to quantitatively explore the multifaceted determinants that influence earnings in the translation industry.Using a dataset comprising 45000 translator profiles,the study focusses on delineating dispar... This study aims to quantitatively explore the multifaceted determinants that influence earnings in the translation industry.Using a dataset comprising 45000 translator profiles,the study focusses on delineating disparities correlated with demographic variables such as age,gender,home country wealth,and language pairs.The study uses a random forest regression model to delineate the complex interaction between gender,the economic standing of a translator’s domicile country,age,and linguistic proficiency,as they relate to earnings.Our findings substantiate and,in many ways,extend existing qualitative and anecdotal evidence that has shaped the discourse in this sector.The rigorous empirical framework employed here can be replicated or adapted to study other sectors within the gig economy,thus contributing to a more comprehensive understanding of labour dynamics in the digital age. 展开更多
关键词 translation online employment gig economy intercultural communication
原文传递
A Full Eulerian Fluid-Membrane Coupling Method with a Smoothed Volume-of-Fluid Approach 被引量:1
16
作者 Satoshi Ii Xiaobo Gong +3 位作者 Kazuyasu Sugiyama Jinbiao Wu Huaxiong Huang Shu Takagi 《Communications in Computational Physics》 SCIE 2012年第7期544-576,共33页
A novel full Eulerian fluid-elastic membrane coupling method on the fixed Cartesian coordinate mesh is proposed within the framework of the volume-of-fluid approach.The present method is based on a full Eulerian fluid... A novel full Eulerian fluid-elastic membrane coupling method on the fixed Cartesian coordinate mesh is proposed within the framework of the volume-of-fluid approach.The present method is based on a full Eulerian fluid-(bulk)structure coupling solver(Sugiyama et al.,J.Comput.Phys.,230(2011)596–627),with the bulk structure replaced by elastic membranes.In this study,a closed membrane is considered,and it is described by a volume-of-fluid or volume-fraction information generally called VOF function.A smoothed indicator(or characteristic)function is introduced as a phase indicator which results in a smoothed VOF function.This smoothed VOF function uses a smoothed delta function,and it enables a membrane singular force to be incorporated into a mixture momentum equation.In order to deal with a membrane deformation on the Eulerian mesh,a deformation tensor is introduced and updated within a compactly supported region near the interface.Both the neo-Hookean and the Skalak models are employed in the numerical simulations.A smoothed(and less dissipative)interface capturing method is employed for the advection of the VOF function and the quantities defined on the membrane.The stability restriction due to membrane stiffness is relaxed by using a quasi-implicit approach.The present method is validated by using the spherical membrane deformation problems,and is applied to a pressure-driven flow with the biconcave membrane capsules(red blood cells). 展开更多
关键词 Fluid-membrane interaction Eulerian formulation Cartesian mesh VOLUME-OF-FLUID quasi-implicit approach red blood cell
原文传递
Coarse Grained Molecular Dynamics Simulation of Interaction between Hemagglutinin Fusion Peptides and Lipid Bilayer Membranes
17
作者 Naveen K.Vaidya Huaxiong Huang Shu Takagi 《Advances in Applied Mathematics and Mechanics》 SCIE 2010年第4期430-450,共21页
Microscopic level interaction between fusion-peptides and lipid bilayer membranes plays a crucial role in membrane fusion,a key step of viral infection.In this paper,we use coarse-grained molecular dynamics(CGMD)simul... Microscopic level interaction between fusion-peptides and lipid bilayer membranes plays a crucial role in membrane fusion,a key step of viral infection.In this paper,we use coarse-grained molecular dynamics(CGMD)simulations to study the interaction between hemagglutinin fusion-peptides and phospholipid bilayer membranes.With CGMD,we are able to simulate the interaction of fusion peptides with a relatively large piece of membrane for a sufficiently long time period,which is necessary for a detailed understanding of the fusion process.A conformation of the peptide with a kink at the level of phosphate group is obtained,consistent with NMR and EPR studies.Our results show that the N-terminal segment of the peptide inserts more deeply into the membrane bilayer compared to the C-terminal segment,as observed in previous experiments.Our simulations also show that the presence of fusion peptides inside the membrane may cause bilayer thinning and lipid molecule disorder.Finally,our results reveal that peptides tend to aggregate,indicating cluster formation as seen in many experiments. 展开更多
关键词 Coarse-grained molecular dynamics fusion peptide hemagglutinin protein phospholipid bilayer membrane fusion
原文传递
上一页 1 下一页 到第
使用帮助 返回顶部