2013 Computational Aspects of Biomolecular NMR GRC/GRS

描述（由申请人提供）：戈登生物分子核磁共振计算方面研究会议为介绍和讨论实验核磁共振（NMR）与计算分析和预测交叉点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最通用方法之一，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。最近的进展已经允许应用于日益复杂的系统，但只有通过学习使用新类型的数据和大量的数据，并将NMR数据与其他方法的数据相结合。计算平台，有效地处理数据，合并数据类型，并提供使用更有限的数据集已成为必不可少的处理应用程序的NMR在结构，动力学和系统生物学的高级问题。本次会议将汇集NMR和计算生物学的从业人员，以促进产生这些平台所需的合作和教育，并将应用程序推进到更具挑战性的系统中。拟议中的会议将于6月2日至7日在佛蒙特州的雪山度假村举行，预计将有来自许多国家的160名与会者、30名特邀发言人和9名讨论者。会议将致力于数据辅助的大分子结构预测，用新的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引导配体对接，复杂代谢过程的去卷积和更大结构的挑战。突出的发言者名单，沿着会议的亲密形式，将为研究生，博士后和那些新到这个研究领域的人提供独特的机会，与该领域的领导者讨论他们的研究。广泛的海报会议，沿着促进会谈，将促进这一进程。今年的新活动是在会议之前举行的戈登研究研讨会。它是由研究生和博士后组织的。虽然那些在计算核磁共振的所有领域工作的参与将受到鼓励，研讨会将有一个特别的重点是代谢系统的研究和NMR与相关的计算技术的整合需要处理系统生物学，微生物学，毒理学，基因组学和医学的代谢组学方面。研讨会将以代谢组学NMR专家领导的主题演讲和讨论为特色，作为研究生和博士后口头演讲的补充。它将为与会者提供一个极好的学习机会，并熟悉戈登会议气氛所促进的公开科学交流进程。

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.