COMPUTER SIMULATIONS OF MOLECULAR PROPELLERS

分子螺旋桨的计算机模拟

• 批准号: 6347978
• 负责人: JAROSLAV VACEK
• 金额: $ 0.03万
• 依托单位: UNIVERSITY OF CALIFORNIA, SAN FRANCISCO
• 依托单位国家: 美国
• 财政年份: 2000
• 资助国家: 美国
• 起止时间: 2000-07-01 至 2001-06-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6347978
• 关键词: biological products; biomaterials; biomedical resource; computers; infection; vaccines

The aim of our project is to investigate the behavior of some propeller shaped rotable groups mounted on a molecular grid assembled of connector-like subsystems. Molecular dynamics simulations are used to study these systems. It appears that these molecular propellers or turbines do rotate in rotating electric field and in the flow of rare gas. CGL molecular graphics is used to visualize the structures and their motion.

我们项目的目的是调查一些 螺旋桨形状的旋转组安装在分子网格组装 类似连接器的子系统。 采用分子动力学模拟 来研究这些系统。 看来这些分子推进器或 涡轮机在旋转电场中旋转， 气体 CGL分子图形用于可视化结构， 他们的动议。