Landon Ashlin is a rising senior at Juniata College in Huntingdon, Pennsylvania, where he is studying Computational Chemistry with a minor in Physics. This summer he is working under the guidance of Professor George Stan to understand the application of molecular dynamics simulations to analyze the ClpB chaperone activity of rescue proteins from aggregation. ClpB is needed for protein disaggregation and it is critical to prevent protein aggregation during severe stress conditions. The goal of this project is to optimize scaling parameters of the SMOG coarse-grained model to best match Root Mean Square Fluctuation (RSMF) values with those obtained using the all-atom model. To this end, he is using Visual Molecular Dynamics (VMD), PyMOL, and GROMACS programs to run simulations and analyze the results.
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