Resource for Macromolecular Modeling and Visualization

高分子建模和可视化资源

基本信息

项目摘要

SUMMARY The main mission of the P41 Biomedical Technology Research Resource for Macromolecular Modeling and Bioinformatics (P41-GM104601) over the last three decades has been developing state of the art computational technologies for biomolecular and cell simulations and visualization, implementing them in efficient, economical, user-friendly software solutions, and disseminating them to the biomedical community at no cost. The Resource has enabled high-quality, rigorous research for the biomedical scientists who need to integrate molecular and cell modeling, simulation, and visualization in their research, not only at diverse academic institutions, but also in industry. The flagship software programs, VMD and NAMD and their auxiliary plugins, are used currently by more than 125,000 users and have received a staggering number of 57,000 citations (19,711 in 2018-2021 alone), reflecting the massive use of the technologies and programs developed by the Resource, and its sub- stantial economies of scale. The Resource's partnership with the biomedical community resulted in the 2020 ACM Gordon Bell Special Prize for COVID-19 Research. Under the R24 mode of operation, a major goal of the Resource will be to ensure that its software solutions remain current and available to its large user base on existing and upcoming hardware platforms commonly used at local and institutional levels, and at national super- computing centers, where a large fraction of the overall time is consumed by biomedical researchers using the Resource's programs. Given the key position of these programs, several major supercomputing centers as well as major hardware vendors have established strong relationships with the Resource, even directly supporting software development and optimization. In addition, the Resource will ensure the utility of its programs by includ- ing algorithmic changes/updates that are critical to applicability of the codes and/or demanded by the community. The Resource will also sustain and expand its comprehensive user training program, empowered by an already existing, large collection of online tutorials, case studies, and hands-on workshops. Another major activity of the Resource will be to continue to support its users in the proper and efficient application of the software programs through customer support services and expanding and upgrading the documentation for the programs. The R24 Resource for Macromolecular Modeling and Visualization will be evaluated on a continuous basis by monitoring quantitative metrics such as the number of its active users (users of multiple versions of software) and citations, by conducting regular user surveys requesting input from the user community which will also assist in identifying most critical features and improvements, and by the technical input from the external advisory board.
总结

项目成果

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Emad Tajkhorshid其他文献

Emad Tajkhorshid的其他文献

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{{ truncateString('Emad Tajkhorshid', 18)}}的其他基金

Administrative Supplement: Resource for Macromolecular Modeling and Visualization
行政补充:大分子建模和可视化资源
  • 批准号:
    10799338
  • 财政年份:
    2022
  • 资助金额:
    $ 120.73万
  • 项目类别:
Resource for Macromolecular Modeling and Visualization
高分子建模和可视化资源
  • 批准号:
    10710372
  • 财政年份:
    2022
  • 资助金额:
    $ 120.73万
  • 项目类别:
Hands-on Workshops on Computational Biophysics
计算生物物理学实践研讨会
  • 批准号:
    9135484
  • 财政年份:
    2013
  • 资助金额:
    $ 120.73万
  • 项目类别:
CAPTURING LARGE-SCALE STRUCTURAL TRANSITIONS IN MEMBRANE TRANSPORTERS AT ATOMIC
捕获原子膜转运蛋白的大规模结构转变
  • 批准号:
    8364328
  • 财政年份:
    2011
  • 资助金额:
    $ 120.73万
  • 项目类别:
MEMBRANE PROTEIN STRUCTURAL DYNAMICS CONSORTIUM
膜蛋白结构动力学联盟
  • 批准号:
    8363664
  • 财政年份:
    2011
  • 资助金额:
    $ 120.73万
  • 项目类别:
LARGE SCALE SIMULATION OF MEMBRANE CHANNELS AND TRANSPORTERS
膜通道和转运体的大规模模拟
  • 批准号:
    8171891
  • 财政年份:
    2010
  • 资助金额:
    $ 120.73万
  • 项目类别:
Molecular Mechanisms of Active Transport Across Cellular Membranes
跨细胞膜主动运输的分子机制
  • 批准号:
    8119138
  • 财政年份:
    2009
  • 资助金额:
    $ 120.73万
  • 项目类别:
LARGE SCALE SIMULATION OF MEMBRANE CHANNELS AND TRANSPORTERS
膜通道和转运体的大规模模拟
  • 批准号:
    7956352
  • 财政年份:
    2009
  • 资助金额:
    $ 120.73万
  • 项目类别:
Molecular Mechanisms of Active Transport Across Cellular Membranes
跨细胞膜主动运输的分子机制
  • 批准号:
    8310172
  • 财政年份:
    2009
  • 资助金额:
    $ 120.73万
  • 项目类别:
Molecular Mechanisms of Active Transport Across Cellular Membranes
跨细胞膜主动运输的分子机制
  • 批准号:
    8520326
  • 财政年份:
    2009
  • 资助金额:
    $ 120.73万
  • 项目类别:

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