MOLECULAR DYNAMICS SIMULATIONS OF PROTEIN FOLDING

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 当今计算生物学中最重要的进展之一是处理蛋白质折叠问题：蛋白质折叠是如何 蛋白质的序列规定了它的折叠结构(因此，功能)。蛋白质折叠过程的研究进展 蛋白质折叠通常需要几十微秒或更长的时间，这一事实阻碍了计算 直到最近还不能通过模拟来实现。然而，由于极其幸运的并行进展， 分子动力学模拟，蛋白质的整个折叠过程现在可以通过计算来研究 (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. 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).