2013 Computational Aspects of Biomolecular NMR GRC/GRS

2013 生物分子 NMR GRC/GRS 的计算方面

• 批准号: 8521526
• 负责人: JAMES H. PRESTEGARD
• 金额: $ 1万
• 依托单位: GORDON RESEARCH CONFERENCES
• 依托单位国家: 美国
• 财政年份: 2013
• 资助国家: 美国
• 起止时间: 2013-04-01 至 2014-03-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8521526
• 关键词: Area; Biomolecular Nuclear Magnetic Resonance; Carbohydrates; Cell physiology; Collaborations; Communities; Complement; Complex; Computational Biology; Computational Technique; Computer Analysis; Computing Methodologies; Country; Data; Data Analyses; Data Set; Disease; Docking; Education; Future; Generations; Genomics; Institutes; International; Investigation; Lead; Learning; Ligands; Lipids; Medicine; Membrane; Metabolic; Metabolism; Methodology; Methods; Microbiology; Modeling; Molecular; Molecular Models; Molecular Structure; Nuclear Magnetic Resonance; Nucleic Acids; Oral; Participant; Physiological; Polysaccharides; Postdoctoral Fellow; Process; Property; Proteins; Protocols documentation; Research; Research Personnel; Resort; Scientist; Snow; Solutions; Structure; System; Systems Biology; Systems Integration; Techniques; Therapeutic; Time; Toxicology; Translating; Vermont; Work; base; combat; computerized data processing; data acquisition; data modeling; disease diagnosis; experience; graduate student; human disease; improved; in vivo; meetings; metabolic abnormality assessment; metabolomics; method development; molecular dynamics; molecular modeling; planetary Atmosphere; posters; protocol development; public health relevance; skills; symposium; tool

DESCRIPTION (provided by applicant): The Gordon Research Conference on Computational Aspects of Biomolecular NMR provides a unique forum for the presentation and discussion of emerging methods at the intersection of experimental Nuclear Magnetic Resonance (NMR) and computational analysis and prediction. NMR is one of the more versatile methods for the investigation of biomolecular systems, whether these are proteins, nucleic acids, glycans, membranes, or functioning cellular and in vivo systems. The resulting structural and functional information lays an important basis for understanding disease, diagnosing disease, and developing therapeutics that combat disease. Recent advances have allowed application to systems of ever increasing complexity, but only by learning to use new types of data and large amounts of data, and integrating NMR data with data from other methodologies. Computational platforms that handle data efficiently, merge data types, and provide for the use of more limited data sets have become essential in dealing with applications of NMR to advanced problems in structural, dynamical and systems biology. This conference will bring together practitioners in NMR and computational biology for the purpose of promoting the collaboration and education needed to generate these platforms and advance applications to ever more challenging systems. The proposed conference, with 160 anticipated participants from many countries, 30 invited speakers, and 9 discussants will be held June 2-7 at Mount Snow Resort in Vermont. Sessions will be devoted to data-aided macromolecular structure prediction, complementing traditional NOE approaches with new data types, improving data acquisition and analysis, modeling and analyzing molecular dynamics, NMR guided ligand docking, deconvolution of complex metabolic processes and the challenges of larger structures. The prominent list of speakers, along with the intimate format of the conference, will provide unique opportunities for graduate students, postdocs, and those new to this research area, to discuss their research with leaders in the field. Extensive poster sessions, along with promoted talks, will facilitate this process. New this year is a Gordon Research Seminar just prior to the conference. It is organized by and for graduate students and postdocs. While participation by those working in all areas of computational NMR will be encouraged, the Seminar will have a special focus on the study of metabolic systems and the integration of NMR with the associated computational techniques needed to treat metabolomic aspects of systems biology, microbiology, toxicology, genomics and medicine. The Seminar will feature a keynote talk and discussions led by experts in metabolomic NMR, as a complement to oral presentations by graduate students and postdocs. It will provide an excellent opportunity for participants to learn, as well as become familiar with the process of open scientific exchange promoted by the atmosphere of a Gordon Conference.

描述（由申请人提供）：生物分子 NMR 计算方面的戈登研究会议为展示和讨论实验核磁共振 (NMR) 与计算分析和预测交叉领域的新兴方法提供了一个独特的论坛。 NMR 是研究生物分子系统的更通用的方法之一，无论这些系统是蛋白质、核酸、聚糖、膜还是功能细胞和体内系统。由此产生的结构和功能信息为理解疾病、诊断疾病和开发对抗疾病的疗法奠定了重要基础。最近的进展使得应用程序能够应用于日益复杂的系统，但只能通过学习使用新类型的数据和大量数据，并将 NMR 数据与其他方法的数据集成。高效处理数据、合并数据类型以及提供更有限数据集使用的计算平台已成为处理 NMR 应用到结构、动力学和系统生物学高级问题的关键。本次会议将汇集核磁共振和计算生物学领域的从业者，目的是促进生成这些平台所需的合作和教育，并将应用推进到更具挑战性的系统中。拟议的会议将于 6 月 2 日至 7 日在佛蒙特州的 Mount Snow Resort 举行，预计将有来自多个国家的 160 名与会者、30 名受邀演讲者和 9 名讨论者。会议将致力于数据辅助大分子结构预测、用新数据类型补充传统的 NOE 方法、改进数据采集和分析、建模和分析分子动力学、NMR 引导的配体对接、复杂代谢过程的反卷积以及更大结构的挑战。杰出的演讲者名单以及亲密的会议形式将为研究生、博士后和该研究领域的新人提供独特的机会，与该领域的领导者讨论他们的研究。广泛的海报会议以及推广演讲将促进这一进程。今年的新活动是在会议之前举办戈登研究研讨会。它由研究生和博士后组织并为他们服务。虽然鼓励计算核磁共振所有领域的工作人员参与，但研讨会将特别关注代谢系统的研究以及核磁共振与处理系统生物学、微生物学、毒理学代谢组学方面所需的相关计算技术的整合、基因组学和医学。研讨会将以代谢组核磁共振专家主持的主题演讲和讨论为特色，作为研究生和博士后口头报告的补充。它将为参与者提供一个绝佳的学习机会，并熟悉戈登会议氛围所促进的开放科学交流的过程。