ROLE OF WATER IN MODIFYING INTERSTRAND INTERACTIONS IN CELLULOSE FIBERS

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。 由于飓风对他们在新奥尔良的设施造成的破坏，弗兰奇博士和约翰逊博士被重新分配到美国农业部在佐治亚州雅典的设施。我们启动了一个项目，使用MD和PMF模拟来检查纤维素微纤维的结构和强度随模型纤维中股数的变化情况。在他们离开新奥尔良期间，约翰逊博士在CCRC工作，在那里他接受了关于解算MD模拟的实践和理论方面的培训。 这项工作继续使用我们最近报道的TIP-5P一致的GLYCAM参数对纤维素纤维进行模拟。

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. As a result of hurricane damage to their facility in New Orleans, Drs. French and Johnson were reassigned to the USDA facility in Athens, Georgia. We initiated a project that employs MD and PMF simulations to examine the structure and strength of cellulose microfibers as a function of the number of strands in the model fiber. During their period of displacement from New Orleans, Dr. Johnson worked at the CCRC where he gained training in the practical and theoretical aspects of solvated MD simulations. This work is continuing with simulations of cellulosic fibers using our recently-reported TIP-5P  consistent GLYCAM parameters.