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.
