A Supercomputer for Design of Bioactive Molecules

加州大学旧金山分校结构生物学研究组提出了一种能够处理克雷X-MP的超小型计算机。这台计算机将在加州大学旧金山分校100多名教职员工、博士后和研究生的科学项目中发挥关键作用。计算机的使用重点将放在生物活性分子的设计上。这样的设计过程将把大规模的数值计算与蛋白质和DNA的生产以及使用核磁共振和X射线结晶学的三维结构确定结合起来。拟议的计算机是这一设计过程中必不可少的一环。

A superminicomputer capable of the throughput of a CRAY X-MP is proposed for the Structural Biology group at the University of California, San Francisco. This computer will play a critical role in the scientific projects of over 100 faculty, postdocs and graduate students at UCSF. The focus of use of the computer will be in the design of bioactive molecules. Such a design process will couple large-scale numerical computations with protein and DNA production and three dimensional structural determination using NMR and X-ray crystallography. The proposed computer is an essential link in this design process.