Transitioning GLYCAM-Web to a self-sustaining carbohydrate modeling service

将 GLYCAM-Web 转变为自我维持的碳水化合物建模服务

基本信息

  • 批准号:
    10391344
  • 负责人:
  • 金额:
    $ 41.53万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
  • 财政年份:
    2020
  • 资助国家:
    美国
  • 起止时间:
    2020-05-01 至 2024-04-30
  • 项目状态:
    已结题

项目摘要

Project Summary For over a decade, GLYCAM-Web (www.glycam.org) has provided the scientific community with a suite of online tools for simplifying the modeling of 3D structures of carbohydrates, glycoproteins, and their interactions with proteins. The highly plastic nature of oligosaccharides and the fact that they are typically branched means that they place unique demands on both software developers and users. This is exacerbated by their complex and archaic nomenclature. GLYCAM-web was developed by a team of people with a unique depth of expertise in carbohydrate chemistry and informatics, with the overarching goal of making carbohydrate modeling more accessible to scientists who either lack computational expertise, or whose familiarity with carbohydrates is limited. According to AWstats and in-house code GLYCAM-Web was visited by ~110,000 unique addresses and had ~11,000 PDB file downloads from 2016 to 2019. The downloads are usually associated with creating and viewing 3D structures of glycans and for offline modeling. We have included a detailed usage analysis in the Research Strategy to emphasize the significance of this resource to the NIGMS research community. The development of GLYCAM-Web has been primarily supported through an NIH NIGMS P41 grant held at the Complex Carbohydrate Research Center at the University of Georgia that has been continuously renewed since the 1990s. With the ending of the P41 program, we are not eligible for further support within the P41 program, and are seeking support that with enable us to transition GLYCAM-Web to a near self-sustaining resource whose operation costs are offset by new fee-for-service functionality targeting users who wish to perform molecular dynamics simulations, but who lack the expertise or infrastructure to do so. The decade- long development of GLYCAM-Web has seen the infrastructure grow and change with the advent of new architectures, code evolution, and increased security requirements, leading to a complex code base involving the C++, JAVA, and PYTHON languages. Thus a significant aspect of this proposal involves code refactoring to unify the code base, which will directly reduce maintenance costs. To achieve near self-sustainability, we have developed the four aims what will address the necessary improvements to code and infrastructure: usability, transferability, maintainability, and sustainability.
项目总结

项目成果

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{{ truncateString('ROBERT J WOODS', 18)}}的其他基金

Computational tools to aid the design of glycomimetic agents
帮助设计糖模拟剂的计算工具
  • 批准号:
    10477037
  • 财政年份:
    2020
  • 资助金额:
    $ 41.53万
  • 项目类别:
Computational tools to aid the design of glycomimetic agents
帮助设计糖模拟剂的计算工具
  • 批准号:
    10245292
  • 财政年份:
    2020
  • 资助金额:
    $ 41.53万
  • 项目类别:
INTEGRATION OF GLYCAM SIMULATIONAL METHODS WITHIN THE CFG
CFG 内 Glycam 模拟方法的集成
  • 批准号:
    8361795
  • 财政年份:
    2011
  • 资助金额:
    $ 41.53万
  • 项目类别:
CHARACTERIZING THE 3D PROPERTIES OF POLY(NEU5AC) VS POLY(NEU5GC) POLYMERS
表征 POLY(NEU5AC) 与 POLY(NEU5GC) 聚合物的 3D 特性
  • 批准号:
    8361834
  • 财政年份:
    2011
  • 资助金额:
    $ 41.53万
  • 项目类别:
MULTIPLEXED ANALYSIS OF INFLUENZA VIRUS TYPE, SUB-TYPE, & RECEPTOR SPECIFICITY
流感病毒类型、亚型、
  • 批准号:
    8361855
  • 财政年份:
    2011
  • 资助金额:
    $ 41.53万
  • 项目类别:
MODELING HEPARIN INDUCED CONFORMATIONAL CHANGES IN INTERLEUKINE-5
模拟肝素诱导的 INTERLEUKINE-5 构象变化
  • 批准号:
    8361859
  • 财政年份:
    2011
  • 资助金额:
    $ 41.53万
  • 项目类别:
2011 Carbohydrates Gordon Research Conference
2011 年碳水化合物戈登研究会议
  • 批准号:
    8125452
  • 财政年份:
    2011
  • 资助金额:
    $ 41.53万
  • 项目类别:
EXTENSION OF GLYCAM FORCE FIELD PARAMETERS TO ENABLE MODELING OF NUCLEIC ACIDS
扩展糖力场参数以实现核酸建模
  • 批准号:
    8361808
  • 财政年份:
    2011
  • 资助金额:
    $ 41.53万
  • 项目类别:
DEVELOPMENT & INCORPORATION OF CARBOHYDRATE FORCE FIELDS FOR USE WITH AMBER
发展
  • 批准号:
    8361788
  • 财政年份:
    2011
  • 资助金额:
    $ 41.53万
  • 项目类别:
MODELING & RADIOLYTIC FOOTPRINTING USED TO MAP OLIGOSACCHARIDE BINDING SITES
造型
  • 批准号:
    8361796
  • 财政年份:
    2011
  • 资助金额:
    $ 41.53万
  • 项目类别:

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