MOLECULAR DYNAMICS SIMULATIONS OF PROTEIN FOLDING

蛋白质折叠的分子动力学模拟

• 批准号: 7955611
• 负责人: PETER FREDDOLINO
• 金额: $ 3.83万
• 依托单位: UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN
• 依托单位国家: 美国
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-08-01 至 2010-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7955611
• 关键词: Bioinformatics; Computational Biology; Computer Retrieval of Information on Scientific Projects Database; Funding; Grant; Institution; Modeling; Process; Proteins; Research; Research Personnel; Resources; Source; Specific qualifier value; Structure; United States National Institutes of Health; molecular dynamics; protein folding; simulation

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. One of the most significant advances in computational biology today deals with the protein folding problem: how the sequence of a protein specifies its folded structure (and thus, function). Efforts to study the folding process of proteins computationally are hampered by the fact that protein folding generally requires tens of microseconds or longer, periods which until recently were unattainable through simulation. However, thanks to extremely fortunate advances in parallel molecular dynamics simulations, the full folding process of proteins can now be studied computationally (http://www.ks.uiuc.edu/Research/folding).

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 当今计算生物学最重要的进展之一是处理蛋白质折叠问题：蛋白质的序列如何指定其折叠结构（以及功能）。通过计算研究蛋白质折叠过程的努力受到蛋白质折叠通常需要数十微秒或更长时间的事实的阻碍，直到最近才通过模拟实现。 然而，由于并行分子动力学模拟的极其幸运的进展，现在可以通过计算研究蛋白质的完整折叠过程（http：//www.ks.uiuc.edu/Research/folding）。