NAMD-LITE AND MOLECULAR SIMULATION METHODS DEVELOPMENT

NAMD-Lite 和分子模拟方法开发

• 批准号: 8363645
• 负责人: DAVID J HARDY
• 金额: $ 4.97万
• 依托单位: UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-08-01 至 2012-09-09
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8363645
• 关键词: Bioinformatics; Code; Complication; Development; Freedom; Funding; Grant; Illinois; Intention; Language; Licensing; Methods; Modeling; Molecular; National Center for Research Resources; Principal Investigator; Research; Research Infrastructure; Resources; Scientist; Source; Source Code; Testing; United States National Institutes of Health; Universities; cost; 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. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. 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.

这个子项目是许多利用资源的研究子项目之一 由NIH/NCRR资助的中心拨款提供。子项目的主要支持 而子项目的主要调查员可能是由其他来源提供的， 包括其他NIH来源。 列出的子项目总成本可能 代表子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 NAMD-Lite（http：//www.ks.uiuc.edu/Development/MDTools/namdlite/）是一个快速原型开发工具， 开发生物分子新模拟方法的框架，包括顺序 用C语言编写的代码，采用模块化设计.其目的是将发展 方法的额外复杂性，由于并行实现，提供了一个更简单的 在将新方法引入NAMD之前测试和验证它们的方法 (http：//www.ks.uiuc.edu/Research/namd/）。 源代码在 伊利诺伊大学/NCSA开源许可证允许科学家完全自由 使用和修改代码。