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COMPUTER SIMULATIONS OF MOLECULAR PROPELLERS

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
项目类别：
财政年份：
2000
资助国家：
美国
项目状态：
已结题
起止时间：
2000-07-01 至 2001-06-30
来源：
https://reporter.nih.gov/project-details/6347978
关键词：
biological products biomaterials biomedical resource computers infection vaccines

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中文摘要
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英文摘要
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.
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BINDING FREE ENERGIES & EXTRACTION SELECTIVITY CALCULATIONS
COMPUTER SIMULATIONS OF MOLECULAR PROPELLERS
CALCULATION OF SOLVATION FREE ENERGIES OF AMINES
CALCULATION OF SOLVATION FREE ENERGIES OF AMINES
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