Self-Assembling of Lipid MembraneApplications of Coarse-Grained Simulations with Explicit and Implic

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户:seniorma21
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
  Coarse-grained Molecular Dynamics(CGMD)is a powerful tool to investigate the self-assembly of lipid membrane with biomoelcules and nanoparticles.In this talk,I will present some applications of both explicit-solvent and implicit-solvent CGMD models.
其他文献
Epitaxial growth is a promising way to massively produce high-quality crystalline graphene for various technological applications.To understand its mechanisms,d
会议
  Potassium channels are a broad family of membrane proteins present in almost every cell,and their rapid and highly selective conduction of potassium ions ac
In hybrid quantum mechanical molecular mechanical(QM/MM)calculations,point charges(or multipole moments)from MM atoms generate an electrostatic embedding potent
会议
Lewis electron pair(LEP) model has established electron pair as one of the most important concepts in chemistry in the 20th century.1 The importance of this mod
会议
  A linear scaling method based on non-orthogonal localized molecular orbitals(NOLMO)has been proposed.NOLMOs are the most localized representation of electro
已知测序的蛋白中有超过 30%的蛋白质是膜蛋白,而且已经验证作为药物靶标的蛋白中有超过一半是膜蛋白.膜蛋白所处的微观环境-细胞膜组成异常复杂有别于传统各向同性的溶液环境
会议
We propose a new unified theoretical framework to construct equivalent representations of the multi-state Hamiltonian operator and present several approaches fo
会议
  Boron as a typical electron-deficient element has a rich chemistry next only to carbon in the periodical table.Boron-based nanomaterials have attracted cons
We have extended our previous works on analytic excited-state energy gradient and Hessian within the framework of time-dependent density functional theory(TDDFT
会议
  Ionic liquids(ILs)have attracted great attention as possible replacement for conventional reaction media.Particularly,task-specific ILs have been applied wi