ChimeraX -- Next Generation Visualization and Analysis Software for Multiscale Modeling

ChimeraX——用于多尺度建模的下一代可视化和分析软件

基本信息

批准号：
9973164
负责人：
THOMAS E FERRIN
金额：
$ 64.6万
依托单位：
UNIVERSITY OF CALIFORNIA, SAN FRANCISCO
依托单位国家：
美国
项目类别：
财政年份：
2018
资助国家：
美国
起止时间：
2018-07-01 至 2022-06-30
项目状态：
已结题

来源：
https://reporter.nih.gov/project-details/9973164
关键词：
3-Dimensional Abate Address Advanced Development Algorithmic Software Algorithms Amino Acid Sequence Area Attention Base Sequence Biological Biological Process Biomedical Research Cell physiology Cells Chimera organism Community Developments Complex Computational Biology Computer Graphics Computer software Cryoelectron Microscopy Data Data Analyses Data Set Deposition Development Disease Documentation Drug Design Drug Targeting Ensure Environment Face Funding Geometry Goals Growth Image Internet Knowledge Length Libraries Life Link Manuals Maps Measurement Measures Methods Modeling Molecular Molecular Analysis Molecular Conformation Molecular Structure Motion Nuclear Pore Outcome Protein Engineering Proteins Publications Research Personnel Research Project Grants Resolution Scientist Semantics Software Engineering Software Tools Source Code Structure Talents Techniques Three-dimensional analysis Time Training United States National Institutes of Health Update Validation Variant Vertebral column Vision Visualization Visualization software Work algorithmic methodologies animation application programming interface applied biomedical research base density design drug development experimental study heterogenous data human disease infrastructure development innovation insight interactive tool lectures model building molecular assembly/self assembly multi-scale modeling mutant next generation novel online resource precision medicine repository software development structural biology structured data three-dimensional visualization tool two-dimensional web interface web site

项目摘要

The goal of this project is to enable scientific discovery and advances in biomedical research through the development of cutting-edge software tools that provide integrated visualizations and analyses of molecular structures and related biological information. Our tools can be applied to diverse types of biomolecular data, including atomic-resolution coordinates, 3D cryo-EM density maps, and protein and nucleic acid sequences, annotations, and networks. We focus on unmet software needs for basic and applied biomedical research using highly trained and talented staff, with excellent interdisciplinary knowledge and specialized, state-of-the-art expertise in software engineering, computer graphics visualization, and data analysis. Our primary efforts are in the interactive visualization and analysis of structures of molecules, molecular assemblies, and protein sequence-structure relationships. These areas are critical for addressing important and highly relevant biomedical problems such as identifying the molecular bases of disease, identifying targets for drug development, designing drugs, and engineering proteins with new functions. Our software tools enable scientists to understand, analyze, and illustrate to others the important principles of molecular structure, function, and interactions. These tools are widely recognized as works of the highest quality, and are available for free on our website in binary and source-code form. We support and maintain these tools, and provide detailed documentation and tutorials. Our technological developments are disseminated widely via scientific publications, lectures, software distribution, and video animations.

该项目的目的是通过开发尖端软件工具，可提供集成的可视化和分析分子结构和相关的生物学信息。我们的工具可以应用于各种类型的生物分子数据，包括原子分辨率坐标，3D冷冻EM密度图和蛋白质以及核酸序列，注释和网络。我们专注于未满足的基本软件需求并使用训练有素且才华横溢的员工进行应用生物医学研究，并拥有出色的跨学科知识和专业，最先进的软件工程专业知识，计算机图形可视化和数据分析。我们的主要努力是交互式可视化和分析分子，分子组件和蛋白质序列结构关系的结构。这些区域对于解决重要且高度相关的生物医学问题至关重要，例如识别疾病的分子碱，确定药物开发的靶标，设计药物，和具有新功能的工程蛋白质。我们的软件工具使科学家能够理解，分析并向他人说明分子结构，功能和互动。这些工具被广泛认为是最高质量的作品，可用于以二进制和源代码表格在我们的网站上免费。我们支持和维护这些工具，以及提供详细的文档和教程。我们的技术发展被传播通过科学出版物，讲座，软件分发和视频动画广泛广泛。