IGMS: An Investigation of Biomolecular Graphs

图不变量和图论指数已被用于预测性质和确定化学分子的结构相似性。在这项研究中解决的基本问题是如何翻译的分子描述符有意义的生物分子描述符。PI将在东田纳西州立大学的Quillen医学院与分子生物学和生物化学系的研究人员一起工作一年。 她将进行分子生物学的基础和化学图论技术的深入研究。特别是，她将重点介绍邹博士及其医学院同事目前在DNA修复机制和蛋白质结构方面的研究。她将开发生物分子的图形模型，包括核酸和它们编码的蛋白质。本学年的主要研究领域是：a）二级和三级RNA结构，B）核苷酸切除修复，DNA修复机制，c）三级蛋白质结构和蛋白质折叠问题。该IGMS项目由MPS多学科活动办公室（OMA）和数学科学部（DMS）共同支持。

Graph invariants and graph-theoretic indices have been used to predict properties and determine structural similarities in chemical molecules. The fundamental problem addressed in this research is how to translate molecular descriptors to meaningful biomolecular descriptors. The PI will spend a year in the Quillen College of Medicine at East Tennessee State University working with investigators in the Department of Molecular Biology and Biochemistry. She will undertake an intense study of the fundamentals of molecular biology and techniques in chemical graph theory. In particular, she will focus on the current research conducted by Dr. Zou and his colleagues in the College of Medicine on DNA repair mechanisms and protein structure. She will develop graphical models of biomolecules, including both nucleic acids and the proteins they encode. The primary areas of focus in the year of study are: a) secondary and tertiary RNA structures, b) nucleotide excision repair, a DNA repair mechanism and, c) tertiary protein structures and the protein folding problem.This IGMS project is jointly supported by the MPS Office of Multidisciplinary Activities (OMA) and the Division of Mathematical Sciences (DMS).