42368-G7
Thermodynamics and Kinetics of Heteropolymers under Confinement
Funds in this period went toward purchase of three workstation computers on which simulations of confined polymer nanocomposites were performed. These workstations were used in the development of a specialized simulation code meant to run on new graphics computing unit (GPU) hardware. One workstation was dedicated to molecular simulation of the GroEL chaperonin, which uses confinement to enhance the rate of protein folding in vivo. Results are forthcoming in four manuscripts, one of which is under review and the others of which are in preparation. No funds were used for personnel support in this period. Funds were used for travel expenses for one student to attend the American Institute of Chemical Engineers Annual Meeting, where the student presented work on the effects of confinement on chemotactic random walks.
