Molecular Dynamics Simulations of 2D-layered Graphene Sheets with Tandem Repeat Proteins

Example simulation and output files of a 2D-layered composite with Graphene Oxide and Tandem Repeat Proteins. These files can be used as a template to run different combinations of 2D materials and proteins, as long as they are defined in OPLS-AA forcefield.

本数据集包含氧化石墨烯（Graphene Oxide）与串联重复蛋白质（Tandem Repeat Proteins）所构成的二维层状复合材料的示例模拟文件与输出文件。若待模拟的二维材料与蛋白质已通过OPLS-AA力场（OPLS-AA forcefield）完成参数定义，则可使用该文件集作为模板，运行不同组合的二维材料与蛋白质模拟任务。