MD Simulations and Analysis for PCBP2

This contents of this folder relate to the following publication: Colorectal cancer-associated PCBP1 mutations disrupt protein stability in a dominant negative manner (2025) Authors: Paige V. Blinkiewicz, Nicole C. Hoenes, Myra X. Afzal, Yihong Liu, Ulysses J. Hill, Berglind Bjarnadottir, T. Emme Burgin, Prerna Malaney doi: https://doi.org/10.1101/2025.09.23.678070 Contents include: - a README file describing folder contents (README.md) - MD simulation files for wild-type and 14 variants of PCBP2 (.zip) - data analysis file (relative_rmsf.py) - outputted raw data (.csv) (rmsf_avg_update.csv) - input file for MD simulations (production.in) - input coordinate and topology files of an equilibrated structure (03_eq.rst7, pcbp2_capped_hmass.prmtop)