Computational Approaches to Biological Ion Channel Dynamics

点击翻译按钮获取中文摘要

Rob Coalson of the University of Pittsburgh is supported by an award from the Theoretical and Computational Chemistry program for research to develop computational methods for the simulation of ion channel dynamics. The work builds on the PI's previous successful work to now include problems involving the mechanisms of ion channel gating, the transport of small solute molecules through protein channels and other basic aspects of signal transduction in proteins.The structure and function of ion channel proteins represents the frontier of knowledge in biological science. Ion channels and pumps are essential for a wide range of physiological function, from nerve signal propagation, to muscle contraction, to autoregulation of cell volume, to production of biochemicals like insulin, to memory acquisition and consciousness. Malfunction of ion channels is therefore implicated as the root cause of many serious diseases and neuropsychiatric disorders, including arrhythmias, seizure disorders, panic attacks, glaucoma, hypertension, renal disease, cystic fibrosis, certain types of epilepsy and migraine headaches. Approximately 1/3 of all drugs on the market today target ion channels. The knowledge of how ion channels function has enormous potential for correcting or replacing defective channels in the body. This work is, thus, expected to have an enormously broad impact on a wide variety of biologically relevant topics. In addition to the scientific broader impacts, the impact of the research is further broadened by Coalson's work with the Telluride workshops and the creation of a Summer Institute focused on computational biology.