Computational and Bioinformatics Research Core

计算和生物信息学研究核心

• 批准号: 10392497
• 负责人: Robert J Doerksen
• 金额: $ 21.29万
• 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/10392497
• 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.

糖科学卓越研究中心 (GlyCORE) 核心 3：计算化学和 生物信息学研究核心将提供多种出色的计算来支持多种研究 糖科学主题，重点关注 GlyCORE 中包含的项目。糖科学的许多方面都是可以接受的 并可以从计算研究中受益。聚糖和复合糖的计算研究可以 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。此类研究可以通过多种方式帮助改善人类健康状况。的目标 该提案旨在建立和运营 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。核心将具有高功能性并实际承载 排除了合作项目所需的大部分研究计算。最优先考虑的是接口 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 JI 项目和试点项目有用的计算。核心3将得到有效聚焦 通过与项目的参与者和潜在参与者举行会议，让其能力了解 GlyCORE 组织的人员、具体培训课程、网络界面和其他推广方法。 核心 3 还将与核心 1：分析和生物物理化学研究以及核心 2：成像密切合作 研究，包括专门分析 LC-MS/MS 数据以更好地了解关键生化指标 途径。核心 3 的工作分为四个具体目标。目标 1：支持初级研究人员、飞行员 项目计划研究人员和其他糖科学研究人员确定计算方法 可以协助他们的项目。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，帮助有兴趣了解计算方法和内容的研究人员 方法对他们的项目很有用，如果他们认为这是一个优先事项，那么教他们如何做自己的事情 计算来完成他们的研究目标并建立自己的技能组合。目标3：广泛开展 糖科学的计算化学和生物信息学计算范围。目标 4：开发和提供 用于生成、分析和解释蛋白质组学高通量 LC-MS/MS 数据的协作管道， 糖组学和代谢组学。