Kinesin is a biological molecular nanomotor which converts chemical energy into mechanical work. To fulfill various nanotechnological tasks in engineered environments, the function of biological molecular motors can be altered by artificial chemical modi
Fucosterol, a sterol isolated from brown algae, has been demonstrated to have anti-cancer properties. However, the effects and underlying molecular mechanism of fucosterol on non-small cell lung cancer remain to be elucidated. In this study, th
To this, we first analyzed the structural and dynamical properties of ring polymer melts in 3-dimensional (3D) space by using molecular dynamics (MD) simulations implemented with an accurate united-atom model and a well-known coarse-grained Kre...
GATE: A simulation toolkit for PET and SPECT. Phys Med Biol 2004; 49: 4543–4561. 2. Holdsworth CH, Levin CS, Farquhar TH, Dahlbom M, Hoffman EJ. Investigation of accelerated Monte Carlo techniques for PET simulation and 3D PET scatter correction. IEEE Trans Nucl Sci. 2001; 48: 74–...
On the other hand, the fuel regression rate is an outcome of the simulation and the proper fuel-surface boundary conditions are required to allow for its calculation. In particular, with classical polymeric fuels, an energy balance at the solid fuel interface with gas, coupled with a ...
In order to study the emergence and dynamics of cytokine storm, we consider proinflammatory cytokines produced by cells of the innate immune response. Depending on the parameters of the model, the system can remain in the normal inflammatory state specific for viral infections or, due to positive...
The analysis of protein structures provides fundamental insight into most biochemical functions and consequently into the cause and possible treatment of diseases. As the structures of most known proteins cannot be solved experimentally for technical or
polymers Article Molecular Dynamics Simulation and Experimental Studies on the Thermomechanical Properties of Epoxy Resin with Different Anhydride Curing Agents Kexin Fu 1 , Qing Xie 1,*, Fangcheng LÜ 1, Qijun Duan 1, Xinjie Wang 2, Quansheng Zhu 3 and Zhengyong Huang 4...
and monkeypox related genes were searched in public database to determine the shared targets of drugs(Reduning) and diseases(monkeypox).Molecular docking technology and molecular dynamics simulation technology were used to screen the active components and target molecular conjugates with high binding abi...
Dozens of software tools have been developed to support Agent-based simulation. These range from the Simula programming language developed in the 1960s to widely used modern tools like NetLogo, Repast, and Soar (see this article for a comparison of features.) Autogen is a system that allows ...