NAMD-LITE AND MOLECULAR SIMULATION METHODS DEVELOPMENT

NAMD-Lite 和分子模拟方法开发

• 批准号: 8172028
• 负责人: DAVID J HARDY
• 金额: $ 5.02万
• 依托单位: UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN
• 依托单位国家: 美国
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-08-01 至 2011-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8172028
• 关键词: Bioinformatics; Code; Complication; Computer Retrieval of Information on Scientific Projects Database; Development; Freedom; Funding; Grant; Illinois; Institution; Intention; Language; Licensing; Methods; Molecular; Research; Research Personnel; Resources; Scientist; Source; Source Code; Testing; United States National Institutes of Health; Universities; design; method development; open source; simulation

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. NAMD-Lite (http://www.ks.uiuc.edu/Development/MDTools/namdlite/) is a rapid prototyping framework for developing new simulation methods for biomolecules, consisting of sequential C language code with a modular design. The intention is to separate the development of methods from the additional complication due to parallel implementation, providing a simpler way to test and validate new methods before bringing them into NAMD (http://www.ks.uiuc.edu/Research/namd/). The source code is distributed under the University of Illinois/NCSA Open Source License to allow scientists complete freedom to use and modify the code.

该子项目是利用该技术的众多研究子项目之一 资源由 NIH/NCRR 资助的中心拨款提供。子项目和 研究者 (PI) 可能已从 NIH 的另一个来源获得主要资金， 因此可以在其他 CRISP 条目中表示。列出的机构是 对于中心来说，它不一定是研究者的机构。 NAMD-Lite (http://www.ks.uiuc.edu/Development/MDTools/namdlite/) 是一个快速原型框架，用于开发新的 生物分子模拟方法，由模块化设计的顺序 C 语言代码组成。其目的是 将方法的开发与并行实现带来的额外复杂性分开，提供更简单的方法 在将新方法引入 NAMD 之前测试和验证新方法的方法 (http://www.ks.uiuc.edu/Research/namd/)。 这 源代码根据伊利诺伊大学/NCSA 开源许可证分发，让科学家拥有完全的自由 使用和修改代码。