2011 Computational Aspects - Biomolecular NMR Gordon Research Conference

2011 计算方面 - 生物分子 NMR 戈登研究会议

• 批准号: 8128124
• 负责人: JAMES H. PRESTEGARD
• 金额: $ 0.5万
• 依托单位: GORDON RESEARCH CONFERENCES
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-04-01 至 2012-03-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8128124
• 关键词: Area; Asian Americans; Behavior; Bioinformatics; Biology; Biomedical Research; Biomolecular Nuclear Magnetic Resonance; Chemicals; Chemistry; Collaborations; Complex; Computer Simulation; Computing Methodologies; Data; Data Analyses; Databases; Detection; Development; Disease; Drug Delivery Systems; Europe; European; Fostering; Funding; Future; Goals; Investments; Italy; Knowledge; Literature; Location; Methodology; Methods; Motion; NMR Spectroscopy; Nuclear Magnetic Resonance; Participant; Pharmaceutical Preparations; Physics; Preclinical Drug Evaluation; Property; Proteins; Relaxation; Request for Applications; Request for Proposals; Research; Research Personnel; Scheme; Scientist; Shapes; Solid; Structure; System; Systems Biology; Techniques; X-Ray Crystallography; computerized data processing; data acquisition; design; driving force; experimental analysis; functional improvement; heuristics; improved; insight; meetings; metabolomics; molecular dynamics; novel; posters; programs; protein complex; quantum; stem; symposium; tool

DESCRIPTION (provided by applicant): Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful biophysical techniques for studying biomolecular structure, function and dynamics. This proposal requests partial support for a Gordon Research Conference on "Computational Aspects of Biomolecular NMR" to be held in Il Ciocco, Italy, May 22-27, 2011. The broad and long-term goal of this conference is to foster exchange between computational and experimental scientists in order to advance the field of NMR spectroscopy as applied to biomolecules. Spectacular progress in NMR to probe hitherto inaccessible aspects of biomolecular behavior has regularly resulted from the combination of new computational methodology and new experimental techniques. The specific aims of this meeting will be to convene 40 speakers and a total of 150 researchers for a five-day conference in a relatively isolated setting. The program will have nine main topics that cover cutting-edge advances in biomolecular NMR spectroscopy, compare computer simulations of biomolecular behavior with experimental results and explore the potential of combining NMR with complementary techniques. Specific sessions will be held on structure determination of large proteins and complexes, disordered proteins, connecting structure and dynamics with function, improvements in solids NMR methods, new data form paramagnetic centers, integrating NMR data with SAXS, X-ray crystallography, and EPR, analysis of internal molecular dynamics, improved data analysis and processing methods, and improvements in NMR sensitivity. Additional poster sessions will permit all participants to contribute to these topics. In recent years, Europe has made enormous scientific contributions and investments into the field of biomolecular NMR. Thus, the conference location in Italy is ideally suited for sharing new developments between European, North American, Asian and Australian scientists. The significance of this conference stems from the fact that it is the only one that brings together NMR and non-NMR experimental scientists with computational scientists in order to discuss and advance a field that has broad applications in basic and applied biomedical research. Such advances are expected to yield new and better methods for characterizing and understanding biomolecular properties and function. Specific biomedical applications comprise identification and characterization of drug targets, drug screening and metabolomics. PUBLIC HEALTH RELEVANCE: Knowledge of the shape and motions of biomacromolecules is a prerequisite for understanding biomolecular function both in healthy and pathological situations. NMR spectroscopy, which yields unique insights in this respect, relies on many increasingly sophisticated computational methods to determine biomolecular structures, their complexes and dynamics. Advances in these areas, covered by this conference, will provide the tools necessary to identify and understand the function of drug targets, screen for drugs and optimize drugs for a wide range of diseases.

描述（由申请人提供）：核磁共振（NMR）光谱是研究生物分子结构、功能和动力学的最强大的生物物理技术之一。该提案要求对将于2011年5月22日至27日在意大利的Il Ciocco举行的戈登研究会议“生物分子NMR的计算方面”提供部分支持。本次会议的广泛和长期目标是促进计算和实验科学家之间的交流，以推进应用于生物分子的NMR光谱学领域。核磁共振技术在探测生物分子行为方面取得了惊人的进展，这是由于新的计算方法和新的实验技术的结合。这次会议的具体目标是召集40名发言者和总共150名研究人员在一个相对孤立的环境中举行为期五天的会议。该计划将有九个主要主题，涵盖生物分子NMR光谱学的前沿进展，将生物分子行为的计算机模拟与实验结果进行比较，并探索NMR与互补技术相结合的潜力。具体会议将举行大蛋白质和复合物的结构测定，无序蛋白质，连接结构和动力学与功能，固体NMR方法的改进，顺磁中心的新数据，将NMR数据与SAXS，X射线晶体学和EPR相结合，内部分子动力学分析，改进的数据分析和处理方法，以及NMR灵敏度的提高。额外的海报会议将允许所有与会者对这些主题作出贡献。近年来，欧洲在生物分子NMR领域做出了巨大的科学贡献和投资。因此，意大利的会议地点非常适合欧洲，北美，亚洲和澳大利亚科学家之间分享新的发展。本次会议的意义源于这样一个事实，即它是唯一一个将NMR和非NMR实验科学家与计算科学家聚集在一起的会议，以讨论和推进在基础和应用生物医学研究中具有广泛应用的领域。这些进展有望产生新的和更好的方法来表征和理解生物分子的性质和功能。具体的生物医学应用包括药物靶标的鉴定和表征、药物筛选和代谢组学。 公共卫生关系：生物大分子的形状和运动的知识是了解生物分子在健康和病理情况下的功能的先决条件。NMR光谱学在这方面产生了独特的见解，它依赖于许多日益复杂的计算方法来确定生物分子的结构，它们的复合物和动力学。本次会议所涵盖的这些领域的进展将提供必要的工具，以识别和理解药物靶标的功能，筛选药物并优化用于各种疾病的药物。