Ion Channel Theory: Permeation, Translocation and Gating

匹兹堡大学的Rob Coalson获得了理论和计算化学计划的奖项，以继续他对离子通道渗透，易位和门控的理论和计算方法的研究。该奖项是与分子和细胞生物科学部（MCB）共同资助的。PI正在研究三个项目：（1）发展理论，研究ClC通道中的快速离子传输，其中离子是门控机制的组成部分;（2）使用自由能计算研究较慢的通道门控;以及（3）应用Maggs最近开发的方法，其中包括计算带电大粒子之间自由能的相关性。这项工作预计将对生物学领域产生广泛的影响，并有助于阐明几种重要生物现象的分子基础。这项工作的结果正在被纳入PI的教育活动，其中包括由匹兹堡大学和卡内基梅隆大学联合举办的暑期学校和多机构分子生物物理学计划。

Rob Coalson of the University of Pittsburgh is supported by an award from the Theoretical and Computational Chemistry program to continue his research on developing theoretical and computational methods for ion channel permeation, translocation and gating. This award is co-funded with the Division of Molecular and Cellular Biosciences (MCB). The PI is investigating three projects: (1) the development of theories to study the fast ion transport in ClC channels in which the ions are an integral part of the gating mechanism; (2) the study of slower channel gating using free energy calculations; and (3) the application of a recently developed method by Maggs which includes correlations in the calculation of free energies between charged macroparticles. The work is expected to have a broad impact on the field of biology and to help elucidate the molecular underpinnings of several important biological phenomena. The results of the work are being incorporated into the educational activities of the PI which include a summer school and a multi-institutional Molecular Biophysics program run jointly by the University of Pittsburgh and Carnegie-Mellon.