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PME & LES MOLECULAR DYNAMICS FOR STUDY OF SEQUENCE SPECIFIC DNA & RNA STRUCTURE

PME & LES MOLECULAR DYNAMICS FOR STUDY OF SEQUENCE SPECIFIC DNA & RNA STRUCTURE
PME
批准号：
6456699
负责人：
DAVID E KONERDING
金额：
$27.32万
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：
2001
资助国家：
美国
项目状态：
已结题
起止时间：
2001-07-01 至 2003-08-31
来源：
https://reporter.nih.gov/project-details/6456699
关键词：
biomedical resource computers informatics model design /development technology /technique

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中文摘要
翻译
我们正在用粒子网格Ewald应用AMBER力场
英文摘要
We are applying the AMBER force field with Particle Mesh Ewald (PME) treatment of electrostatics and the Locally Enhanced Sampling (LES) method to predict the sequence specific structure of DNA and RNA duplexes. Results obtained from unrestrained molecular dynamics are compared against structures generated using NMR data. The Computer Graphics Laboratory facilities are instrumental to the visualization of the results.
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PME & LES MOLECULAR DYNAMICS FOR STUDY OF SEQUENCE SPECIFIC DNA & RNA STRUCTURE
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