IMPROVEMENTS FOR A VAX 11/780

化学系的一组研究人员提出的这项建议 在加州大学圣地亚哥分校，正在对VAX进行改进 基于11/780的计算机系统，用于开展由NIH资助的研究。这个 据估计，所需设备将增加系统的容量 230%。这项研究的主要目的是了解 通过对生物分子结构的详细研究来实现其功能 以及它们的动态。生物医学研究的主要领域包括1) 酶和底物的X射线结晶学研究 结构，并由此推断其生物学机制 活动；2)结构与结构关系的开发 在合理药物设计中的作用；3)分子力学计算 多肽的结构、动力学、能量和光谱性质 多肽在溶液中的作用，并利用这些性质来设计 分子执行特定的生物功能；4)研究 生物分子，特别是多肽和蛋白质， 从膜孔离子转运到酶的不同作用 作用；5)RNA和DNA分子的结构和动力学性质 核磁共振技术在溶液中的应用；6)蛋白质进化的研究 利用对过去事件的重建，这些事件导致了现有的 蛋白质库存。

This proposal from a group of investigators in the Department of Chemistry at the University of California, San Diego, is for improvements to a VAX 11/780 based computer system used to carry out research funded by NIH. The requested equipment will increase the capacity of the system an estimated 230%. The major objective of this research is to understand the functioning of biomolecules through detailed exploration of their structure and their dynamics. Major areas of biomedical research include 1) the X-ray crystallography of enzymes and substrates to derive three-dimensional structures and from this to deduce the mechanism of their biological activity; 2) the exploitation of the relationship between structure and function in rational drug design; 3) calculation by molecular mechanics of structural, dynamic, energetic, and spectral properties of peptides and depsipeptides in solution, and the use of these properties to design molecules to carry out specific biological functions; 4) the study of the dynamics by which biomolecules, particularly polypeptides and proteins, function in roles varying from ion transport in membrane pores to enzyme action; 5) the structural and dynamic properties of RNA and DNA molecules in solution using NMR techniques; and 6) the study of protein evolution using the reconstruction of past events which have led to the existing protein inventory.