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提供了一个独特的论坛，用于在实验核磁共振（NMR）的交集以及计算分析和预测的交汇处介绍和讨论新兴方法。 NMR是研究生物分子系统的用途更广泛的方法之一，无论是蛋白质，核酸，聚糖，膜还是功能性的细胞和体内系统。由此产生的结构和功能信息为理解疾病，诊断疾病和开发打击疾病的治疗剂的重要基础。最近的进步允许应用于不断增加的复杂性系统，但仅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在一起。有效地处理数据，合并数据类型并提供更多有限数据集的计算平台对于处理NMR在结构，动力学和系统生物学中的高级问题上的应用中至关重要。这次会议将汇集NMR和计算生物学的从业人员，以促进为这些平台生成这些平台并提高应用程序的合作和教育，从而为更具挑战性的系统。拟议的会议，有160名来自许多国家的预期参与者，30名受邀演讲者和9名讨论者将于6月2日至7日在佛蒙特州的雪山胜地举行。会议将专门用于数据辅助的大分子结构预测，以新的数据类型为传统的NOE方法补充，改善数据获取和分析，建模和分析分子动力学，NMR指导的配体对接，复杂代谢过程的反卷积，复杂的代谢过程以及大型结构的挑战。杰出的演讲者名单，以及会议的亲密形式，将为研究生，博士后和该研究领域的新手提供独特的机会，以与该领域的领导者讨论他们的研究。广泛的海报会议以及促进的会谈将有助于这一过程。今年的新活动是会议前的戈登研究研讨会。它是由研究生和博士后组织的。尽管将鼓励在计算NMR所有领域工作的人的参与，但研讨会将特别关注代谢系统的研究以及NMR与治疗系统生物学，微生物学，毒理学，基因组学和医学的代谢方面所需的相关计算技术的整合。该研讨会将以代谢组NMR专家的主题演讲和讨论为主题演讲，以补充研究生和博士后的口头演讲。它将为参与者提供学习的绝佳机会，并熟悉戈登会议的气氛所推动的开放科学交流过程。