Postdoctoral Research Fellowship in Biological Informatics for FY-2000

这项行动资助了NSF 2000年生物信息学博士后研究奖学金。这项研究和培训计划是在分子生物物理学领域，标题为“使用环寡肽核磁共振数据数据库对蛋白质结构预测算法/模型的系统评估”。虽然存在许多用于模拟蛋白质折叠的计算算法和模型，但显然需要对其准确性和效率进行统计测量。该项目汇集了一个环状低聚肽的核磁共振数据的数据库。这些蛋白质足够小，便于计算，但保留了蛋白质结构的关键特征，因此可以分析分子间和分子内力，以及用于识别稳定构象的采样算法。通过这项研究验证了算法的准确性，然后将其用于预测以前未表征的环肽的结构。

This action funds an NSF Postdoctoral Research Fellowship in Biological Informatics for 2000.The research and training plan is in the area of Molecular Biophysics and is entitled "Systematic Evaluation of Algorithms/Models for Protein Structure Prediction Using a Database of Cyclic Oligopeptide NMR Data". While many computational algorithms and models exist for simulation of protein folding, there is a distinct need for statistical measures of their accuracy and efficiency. This project assembles a database of Nuclear Magnetic Resonance (NMR) data of cyclic oligopeptides. These are proteins which are small enough to be computationally tractable but retain key features of protein structure and thus allow analysis of intermolecular and intramolecular forces as well as sampling algorithms for identifying stable conformations. Algorithms whose accuracy have been validated through this research are then employed to predict the structure of previously uncharacterized cyclic peptides.