CONFERENCE ON COMPUTATIONAL ASPECTS OF BIOMOLECULAR NMR

描述：(改编自申请者的摘要)这项会议拨款提案请求对1999年戈登生物分子核磁共振计算方面研究会议提供部分支持，该会议将于1999年6月6日至11日在意大利巴格拉附近的会议中心“I1 Ciocco”举行。会议主席是Jeffrey C.Hoch博士，副主席是David Case博士和Michael Nilges博士。会议的目的是将工作在生物分子核磁共振前沿的科学家聚集在一起，促进前沿的、出版前工作的自由交流，并确定传播信息和思想的方向，这种传播方式是通过通常的沟通渠道无法实现的，即在大型科学会议上发表出版物和发表演讲。这次会议是一次三年一度的会议的开幕，这是自1990年以来首次专门讨论这一主题的会议。从数据采集和分析到结构确定，计算在生物分子核磁共振的几乎每一个方面都扮演着至关重要的角色。为了反映该领域的全部广度，将寻求由从事实验和计算的科学家组成的广泛的多国代表。会议的中心主题将是实验、理论和计算的相互依存，以及计算对推进生物分子核磁共振前沿的贡献。会议将致力于结构和动力学信息的新来源、计算机辅助分配、动态无序和结构异质性的治疗、分子间相互作用和药物发现。

DESCRIPTION: (adapted from the applicant's abstract) This conference grant proposal requests partial support for the 1999 Gordon Research Conference on Computational Aspects of Biomolecular NMR, to be held June 6-11, 1999 at the conference center "I1 Ciocco", near Bagra, Italy. The conference chair is Dr. Jeffrey C. Hoch, and the vice-chairs are Drs. David Case and Michael Nilges. The purpose of the conference is to bring together scientists working at the forefront of biomolecular NMR, to foster the free exchange of cutting-edge, pre-publication work, and to establish directions of disseminating information and ideas in a way that cannot be achieved through the usual channels of communication; that is, publications and presentations at large scientific meetings. This meeting is the inauguration of what is intended to be a triannual conference, the first meeting devoted to the subject since 1990. Computation plays a crucial role in virtually every aspect of biomolecular NMR, from data acquisition and analysis to structure determination. In order to reflect the full breadth of the field, a broad multinational representation of scientists engaged in both experiment and computation will be sought. Central themes of the conference will be the interdependence of experiment, theory, and computation, and the contributions that computation can make to advancing the frontiers of biomolecular NMR. Sessions will be devoted to new sources of structural and dynamical information, computer-aided assignment, treatment of dynamic disorder and structural heterogeneity, intermolecular interaction and drug discovery.