UltraScan Software Maintenance and Development

UltraScan软件维护和开发

基本信息

批准号：
7405994
负责人：
BORRIES DEMELER
金额：
$ 28.65万
依托单位：
UNIVERSITY OF TEXAS HLTH SCIENCE CENTER
依托单位国家：
美国
项目类别：
财政年份：
2007
资助国家：
美国
起止时间：
2007-04-15 至 2011-03-31
项目状态：
已结题

来源：
https://reporter.nih.gov/project-details/7405994
关键词：
Acceleration Accounting Address Algorithms Architecture Biochemical Biological Biological Models Biological Process Calibration Cells Class Classification Collaborations Collection Commit Communication Communities Compatible Complex Complex Mixtures Computer software Condition DNA Data Data Analyses Data Files Data Set Data Storage and Retrieval Databases Degenerative Disorder Development Diffusion Dimerization Disease Dissociation Documentation Educational process of instructing Educational workshop Elements Ensure Environment Equation Equilibrium Experimental Models Extensible Markup Language Facility Construction Funding Category Feedback Fluorescence Funding Genetic Programming Goals Grant Heterogeneity Individual Information Systems Internet Isomerism Italy Kinetics Label Language Learning Least-Squares Analysis Letters Libraries Licensing Life Linux Maintenance Malignant Neoplasms Manuals Maps Methods Modeling Molecular Molecular Conformation Molecular Weight Monitor Monte Carlo Method Names Neurodegenerative Disorders Noise Nucleic Acids Numbers Operating System Optics Participant Personal Satisfaction Physiological Pliability Polymers Positioning Attribute Principal Investigator Probability Procedures Process Property Proteins Publishing RNA Range Research Research Personnel Resolution Roentgen Rays Role Running Scanning Scheme Scotland Sedimentation process Shapes Signal Transduction Simulate Software Tools Solutions Source Source Code Spectrum Analysis Speed Structure System Teaching Materials Testing Time Training Training and Education Translating Translations United States National Institutes of Health Universities Update Variant Work analytical ultracentrifugation base cluster computing data acquisition data modeling detector expiration foreign language graphical user interface improved innovation insight instrument instrumentation light scattering macromolecule new technology novel novel strategies online tutorial open source parallel computing polymerization portability programs protein aggregation research study sedimentation coefficient sedimentation equilibrium sedimentation velocity simulation size software development solute stoichiometry success tool two-dimensional user-friendly web interface

项目摘要

DESCRIPTION (provided by applicant): UltraScan is a comprehensive software package for the analysis of hydrodynamic data from analytical ultracentrifugation and light scattering experiments. Data from such experiments provide insight into the dynamic interactions among macromolecules involved in the processes of the living cell, and allow their study in the solution state which most closely resemble the physiological conditions in the cell. Current studies involving UltraScan focus on the role of macromolecular properties involved in disease and cancer, such as aggregation, and focus on the basic understanding of structure and function of biological polymers like proteins, RNA and DNA. The UltraScan software enjoys a worldwide and growing distribution with over 1200 registered users in academic and industrial environments. With this grant we seek funding to ensure the continued maintenance and further development of the software. The following new projects are proposed: Development of interfaces to integrate the recently commercialized Fluorescence Optical System and the new AU-AOS data acquisition system for the analytical ultracentrifuge into UltraScan. We also propose the development of novel analysis algorithms addressing reversible association, real-time analysis, and the analysis of kinetics in heteroassociating systems. We will provide an interface for the conformational bead modeling approaches proposed in SO MO, and advance parallel computation of Monte Carlo approaches, genetic algorithm optimizations, and the 2-dimensional spectrum analysis. Further, we propose to develop novel approaches for improved nonlinear least squares optimization, to port the software to new platforms and to adapt UltraScan to changes in third-party libraries and compilers. To facilitate collaboration of our GPL release of the source code for UltraScan we will enhance the documentation of source code and expand the user manual. Additional funds are requested to support initiatives for training and education of UltraScan users through workshops and online seminars. The work proposed here will provide software tools that will facilitate high resolution analysis of biophysical and biochemical research addressing the molecular basis of diseases. For example, it may provide clues to identifying pathogenic proteins involved in neurodegenerative diseases, or in the characterization of interactions between proteins and nucleic acids involved in diseases such as cancer.

描述（由申请人提供）：Ultrascan是一个综合软件包，用于分析分析性超速离心和光散射实验的流体动力数据。来自此类实验的数据提供了对活细胞过程中的大分子之间的动态相互作用的见解，并允许其在溶液状态下的研究，该溶液状态最与细胞中的生理条件非常类似。当前涉及超级人物的研究重点关注疾病和癌症涉及的大分子特性的作用，例如聚集，并专注于对蛋白质，RNA和DNA等生物聚合物的结构和功能的基本理解。 Ultrascan软件在学术和工业环境中拥有超过1200多名注册用户，享有全球和不断增长的分销。有了这项赠款，我们寻求资金，以确保软件的继续维护和进一步开发。提出了以下新项目：开发界面，以整合最近商业化的荧光光学系统和新的AU-AOS数据采集系统，用于分析性超级离心设备为Ultrascan。我们还提出了针对可逆关联，实时分析以及异源社会系统动力学分析的新型分析算法的开发。我们将为SO MO中提出的构象珠建模方法提供一个界面，并提前对蒙特卡洛方法，遗传算法优化和二维光谱分析进行平行计算。此外，我们建议开发用于改进非线性最小二乘优化的新颖方法，以将软件移植到新平台上，并将Ultrascan适应第三方库和编译器的变化。为了促进我们为Ultrascan源代码发布的GPL发布，我们将增强源代码的文档并扩展用户手册。要求额外的资金支持通过研讨会和在线研讨会来培训和教育Ultrascan用户的计划。这里提出的工作将提供软件工具，以促进针对疾病分子基础的生物物理和生化研究的高分辨率分析。例如，它可以为鉴定涉及神经退行性疾病的致病蛋白或蛋白质与涉及癌症等疾病（例如癌症）核酸之间相互作用的表征提供线索。