IRIS MODEL 4D220 VGX WORKSTATION

为IRIS 4D 220 VGX型计算机图形工作站寻求资金 以及其他配件。此工作站 将主要由五名教师及其同事组成的小组雇用 他们都致力于研究合成和结构的机制， 致癌物-DNA加合物的表征。工作站将是 用于反应机理和加合物的分子模拟 分子建模软件包INSIGHT/DISCOVER， Biosym Technologies，Inc.此外，该工作站还将用于 进行分子力学和分子动力学计算， 与我们自己的程序DUPLEX和AMBER加合。使用IRIS 计算密集型分子力学和动力学工作站 计算将缓解超级计算资源的限制， 成本要低得多。这些计算工作产生原子分辨率 加合物的观点与溶液中获得的实验数据一致 研究，并提供合理的结构信息的加合物，其中 目前没有数据。

Funds are sought for an IRIS Model 4D220 VGX Computer Graphics Workstation and accessories from Silicon Graphics Computer Systems. This workstation will be employed primarily by a group of five faculty and their associates who are all engaged in investigating mechanisms of synthesis and structural characterization of carcinogen-DNA adducts. The workstation will be employed in molecular modeling of reaction mechanisms and adduct conformations with the molecular modeling package INSIGHT/DISCOVER from Biosym Technologies, Inc. In addition, the workstation will be used to carry out molecular mechanics and molecular dynamics calculations for these adducts with our own program, DUPLEX, and with AMBER. Use of the IRIS workstation for the computation intensive molecular mechanics and dynamics calculations will alleviate supercomputing resource constraints, and will be far less costly. These computational efforts yield atomic resolution views of adducts in agreement with experimental data obtained in solution studies, and also offer plausible structural information for adducts where no data is at hand.