نتایج جستجو برای: molecular dynamics method
تعداد نتایج: 2547131 فیلتر نتایج به سال:
This paper reviews molecular dynamics (MD) concepts on heat transfer analysis of supercritical CO2, and highlights the major parameters that can affect accuracy respective thermal coefficients. Subsequently, prime aspects construction, identification, performance are organized according to their challenges prospective solutions associated with mutability CO2 properties. Likewise, characteristic...
In the current research, thermal conductivity of magnetite (Fe3O4) has been calculated using molecular dynamic simulation. The rNEMD Molecular Dynamics Method provided in the LMMPS package is used for the simulation of the thermal conductivity. The effects of magnetite layer size and temperature on the thermal conductivity have been investigated. The numerical results have...
Introduction: P53 is a tumor suppressor protein with numerous missense mutations identified in its gene. These mutations are observed in a vast number of cancers. R213G is one of them which has a role in metastatic lung cancers. In this research, R213G was studied in comparison with the wild type via molecular dynamics simulation. Method: For the three-dimensional structure of the wild-type P53...
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