MOLECULAR DYNAMICS SIMULATIONS OF PROTEIN FOLDING

这个子项目是许多利用资源的研究子项目之一 由NIH/NCRR资助的中心拨款提供。子项目的主要支持 而子项目的主要调查员可能是由其他来源提供的， 包括其它NIH来源。 列出的子项目总成本可能 代表子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 当今计算生物学最重要的进展之一是研究蛋白质 折叠问题：蛋白质的序列如何指定其折叠结构（因此， 功能）。通过计算研究蛋白质折叠过程的努力受到以下因素的阻碍： 蛋白质折叠通常需要几十微秒或更长的时间， 直到最近才通过模拟实现。 然而，由于极端 幸运的是，平行分子动力学模拟的进展， 现在可以通过计算来研究蛋白质（http：//www.ks.uiuc.edu/Research/folding）。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. 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).