Mapping Conformational and Kinetic Landscapes of 14-3-3σ/α-Synuclein Assembly via Variational Autoencoders and Markov State Models

The folder contains all the files needed for performing the entire VAE model, along with Markov State Model (MSM) construction. Also the initial .top and .rst of the bound state of the two proteins are uploaded for reference. A file named README.dat explains in detail all the subdirectories along with their respective file hierarchy.