2014 Computational Chemistry Gordon Research Conference & Gordon Research Seminar

项目摘要/摘要 第十五届计算化学戈登研究会议(CC-GRC)将在雪山召开， 佛蒙特州在2014年7月期间。会议在每一个偶数年的夏天举行。 从1986年开始。传统上，会议涵盖了来自跨学科领域的广泛主题。 计算化学和分子建模。总是强烈强调发展…… 跨越量子化学、力场和信息/数据库得出的经验势的新技术。 在每一次会议上还介绍了最近出现的应用领域的个别会议。一 长期以来的焦点是使用计算机方法学来研究生物化学、生物物理和生物医学 应用领域，如优化生物分子结构、蛋白质折叠、酶反应机制 离子的生物化学和核酸的相互作用，仅举几个领域。技术与发展 CC-GRC的焦点是对计算机辅助药物设计GRC的补充，GRC是在 奇数年。除了来自学术实验室、基金会和 政府和工业实验室，会议吸引了一大批博士后和研究生 近几年来，学生们都参与其中。除了一群重复参加学术和行业会议的核心成员外， 在大约150名与会者中，大约有一半是在他们的第一次戈登会议上。2014年第一次， 在CC-GRC之前，将举行为期两天的戈登计算化学研究研讨会(CC-GRS)， 以年轻科学家为目标，包括海报会议、学生研究演讲、网络机会， 以及来自少数资深研究人员的指导。CC-GRS与会者将留在主GRC 在紧随其后的一周。根据这项提议请拨的资金将用于抵消差旅费用。 以及支付来自小型实验室的科学家的注册费用，这些实验室本身可能也没有资金 作为学生和博士后参加GRS和主要的GRC。

Project Summary/Abstract The 15th Computational Chemistry Gordon Research Conference (CC-GRC) will be convened at Mount Snow, Vermont during July 2014. The conference has been held in the summer of every even-numbered year beginning in 1986. Traditionally, the meeting covers a wide range of topics drawn from the interdisciplinary field of computational chemistry and molecular modeling. There is always a strong emphasis on development of new techniques across quantum chemistry, force fields and information/database-derived empirical potentials. Individual sessions on recently emerging application areas are also presented at each conference. One longstanding focus is the use of computer methodology the context of biochemical, biophysical and biomedical applications, such as refinement of biomolecular structure, protein folding, enzyme reaction mechanisms, biochemistry of ions, and nucleic acid interactions, to name just a few areas. The technical and development focus of the CC-GRC is complimentary to the Computer-Aided Drug Design GRC, a sister conference held in odd-numbered years. In addition to a balance of researchers from academic labs, foundations, and government and industrial labs, the conference has attracted a large number of postdoctoral and graduate student participants in recent years. In addition to a core group of repeat academic and industrial attendees, approximately half of the roughly 150 attendees are at their first Gordon Conference. For the first time in 2014, the CC-GRC will be preceded by a two-day Gordon Research Seminar in Computational Chemistry (CC-GRS), targeting younger scientists and including poster sessions, student research talks, networking opportunities, and mentoring from a select handful of senior researchers. CC-GRS attendees will stay for the main GRC during the immediately following week. The funds requested under this proposal will be used to offset travel and meeting registration expenses for scientists from smaller labs that may not have funds themselves, as well as student and postdocs attending the GRS and the main GRC.