Major Expansion of Computer Facilities for Scientific Research

9123574 Hermans’该项目将在分子建模实验室创建一个工作站集群，用于研究生物大分子的结构和功能以及其他生物学研究。这些工作站也将供学生在课堂和研讨会上使用。工作站集群将主要由使用量子力学和分子动力学来理解分子结构和生物活性的研究人员使用。这些领域的例子包括离子相互作用和磷脂膜的物理化学，蛋白质和肽的折叠和构象稳定性问题，以及小分子和蛋白质与核酸的相互作用。

9123574 Hermans' This project will create a workstation cluster in the Molecular Modeling Laboratory that will be used for studies of structure and function of biological macromolecules as well as for other biological studies. The workstations will also be available for students to use in classes and workshops. The workstation cluster will be employed principally by investigators who use quantum mechanics and molecular dynamics in understanding molecular structures and biological activity. Examples of such areas include physical chemistry of ionic interactions and of phospholipid membranes, problems of folding and conformational stability of proteins and peptides, and interaction of small molecules and proteins with nucleic acids.