Water in Protein Folding: A Local Density Approach to MonteCarlo Simulations

首席研究员将探索一种新的、更统一的 方法，包括溶剂的蒙特卡罗模拟， proteins. 许多具体的技术都是从 目前在统计力学和量子力学中使用的方法 场理论 这项工作的计算部分将 涉及在32K处理器连接机上的模拟， 有一个大规模并行计算机架构。 这一小笔赠款 探索性研究奖反映了知识的转移 从物理学到生物学， 工作，涉及物理学，计算和 生物学

The principal investigator will explore a new and more unified method for including the solvent in Monte Carlo simulations of proteins. Many of the specific techniques are borrowed from methods currently being used in statistical mechanics and quantum field theory. The computational portion of this work will involve simulations on a 32K processor Connection Machine which has a massively parallel computer architecture. This Small Grant for Exploratory Research award reflects the transfer of knowledge from physics to biology and the multidisciplinary nature of the work, involving research expertise in physics, computation and biology.