Computational and Bioinformatics Research Core

计算和生物信息学研究核心

• 批准号: 10165748
• 负责人: Robert J Doerksen
• 金额: $ 19.53万
• 依托单位: UNIVERSITY OF MISSISSIPPI
• 依托单位国家: 美国
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-05-15 至 2025-03-31
• 项目状态: 未结题
• 来源: https://reporter.nih.gov/project-details/10165748
• 关键词: Analytical Chemistry; Big Data; Biochemical Pathway; Bioinformatics; Categories; Centers of Research Excellence; Computer software; Computing Methodologies; Data; Data Analyses; Glycoconjugates; Goals; HSV glycoprotein C; Health; Human; Human Resources; Image; Individual; Investigation; Ligands; Mass Spectrum Analysis; Methods; Mississippi; Modernization; Output; Participant; Pathway Analysis; Pilot Projects; Polysaccharides; Property; Proteins; Proteomics; Research; Research Personnel; Research Support; Scientist; Speed; Statistical Models; Structure; Students; Systems Biology; Talents; Training; Universities; Work; base; biophysical chemistry; computational chemistry; computer studies; computerized tools; experience; glycosylation; interest; meetings; member; metabolomics; outreach; programs; skills; small molecule; sugar; web interface

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.

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为多种研究提供出色的计算，以支持多重研究 GlyCoscience主题，重点关注GlyCore中的项目。糖科学的许多方面都可以正常 到并且可以从计算调查中受益。聚糖和糖缀合物的计算研究可以 为实验工作提供关键的互补数据，以加快现代的重大进展 糖科学。这样的研究可以以多种方式帮助改善人类健康状况。目的 该建议是建立和运营聚糖计算核心，以帮助维持和发展 密西西比大学成功的聚糖项目。核心将具有高度功能，实际上携带 为协作项目提供许多所需的研究计算。最重要的是接口 与初级调查员（JI）和Glycore项目的所有其他人员一起。有几个类别 对现有的JI项目和试点项目有用的计算。核心3将有效地集中 通过与参与者和潜在的参与者知道其能力，通过与 由GlyCore组织的人员，特定的培训课程，网络接口和其他外展方法。 核心3还将与核心1紧密合作：分析和生物物理化学研究和核心2：成像 研究，包括专门用于分析LC-MS/MS数据，以更好地了解关键生化 途径。核心3的工作按四个特定目标分类。目标1：支持初级调查员，飞行员 项目计划调查人员和其他糖科学研究人员确定计算方法 可以帮助他们进行项目。 AIM 2：提供糖科学计算方法的培训。核心3将 组织培训课程，以协助有兴趣了解如何和哪些计算的研究人员 方法对他们的项目可能很有用，如果他们将其视为优先事项，请教他们如何做自己的项目 计算实现其研究目标并建立自己的技能组合的计算。目标3：进行宽阔 糖科学的计算化学和生物信息学计算范围。目标4：开发并提供 一种合作管道，用于生成，分析和解释蛋白质组学的高通量LC-MS/MS数据， 甘体和代谢组学。