Computational and Bioinformatics Research Core

Glycoscience卓越研究中心（GlyCORE）核心3：计算化学和 生物信息学研究核心将提供多种优秀的计算，以支持对多种生物信息学的研究。 Glycoscience主题，重点是GlyCORE中包含的项目。糖科学的许多方面都是可行的 并能从计算研究中获益。聚糖和糖缀合物的计算研究可以 为实验工作提供关键的补充数据，以加快现代科学的重大进展。 糖科学这种研究可以通过多种方式帮助改善人类健康状况。的目标 该计划旨在建立和运行GlyCORE计算核心，以帮助维持和发展 密西西比大学成功的GlyCORE项目。核心将是高度功能性的，实际上携带 为合作项目提供所需的大量研究计算。最重要的是 与初级研究员（JI）和GlyCORE项目的所有其他人员一起。有几个类别 对现有联合执行项目和试点项目有用的计算方法。核心3将有效地集中 通过与以下人员的会议，使参与者和潜在参与者了解其能力 人员、具体培训课程、网络界面和GlyCORE组织的其他推广方法。 核心3还将与核心1：分析和生物物理化学研究和核心2：成像密切合作 研究，包括专门用于分析LC-MS/MS数据，以更好地了解关键的生化 途径。核心3的工作分为四个具体目标。目标1：支持初级调查员、试点 项目计划研究人员和其他糖科学研究人员在确定计算方法， 可以帮助他们的项目。目标2：提供糖科学计算方法的培训。核心3将 组织培训课程，以帮助有兴趣了解如何和什么计算的研究人员 方法对他们的项目是有用的，如果他们认为这是一个优先事项，教他们如何做自己的 计算来实现他们的研究目标，并建立自己的技能组合。目标3：开展广泛的 一系列计算化学和生物信息学计算。目标4：开发和提供 一个协作管道，用于生成、分析和解释蛋白质组学的高通量LC-MS/MS数据， 糖组学和代谢组学。

The Glycoscience Center of Research Excellence (GlyCORE) Core 3: Computational Chemistry and Bioinformatics Research Core will provide excellent computations of many kinds to support research on multiple glycoscience topics, with a focus on projects included in GlyCORE. Many aspects of glycoscience are amenable to and can benefit from computational investigation. Computational studies of glycans and glycoconjugates can give key complementary data to experimental work in order to speed significant progress in modern glycoscience. Such research can help ameliorate the human health condition in myriad ways. The objective of this proposal is to establish and operate the GlyCORE Computational core that will help sustain and grow successful GlyCORE projects at the University of Mississippi. The core will be highly functional and actually carry out much of the needed research calculations for collaborative projects. The topmost priority will be to interface with the Junior Investigators (JI) and all other personnel of the GlyCORE project. There are several categories of calculations that will be useful for the existing JI Projects and Pilot Projects. Core 3 will be effectively focused to make its capabilities known to participants and potential participants in the program, through meetings with the personnel, specific training sessions, a web interface, and other outreach methods organized by GlyCORE. Core 3 will also work closely with Core 1: Analytical and Biophysical Chemistry Research and Core 2: Imaging Research, including specifically for analysis of LC-MS/MS data for better understanding of key biochemical pathways. The work of Core 3 is categorized under four specific aims. Aim 1: Support Junior Investigators, Pilot Project Program Investigators and other glycoscience researchers in identifying computational approaches that can assist them in their projects. Aim 2: Provide training in computational methods for glycoscience. Core 3 will organize training sessions to assist researchers who are interested to understand how and what computational approaches can be useful for their projects and, if they see it as a priority, to teach them how to do their own computations to accomplish their research goals and to build their own skill portfolio. Aim 3: Carry out a wide range of computational chemistry and bioinformatics calculations for glycoscience. Aim 4: Develop and provide a cooperative pipeline to generate, analyze and interpret high-throughput LC-MS/MS data for proteomics, glycomics, and metabolomics.