Sampling Conformational Ensembles of Highly Dynamic Proteins via Generative Deep Learning
T. Ruzmetov, T. I. Hung, S. P. Jonnalagedda, S.-h. Chen, P. Fasihianifard, Z. Guo, B. Bhanu, C.-e. A. Chang
This paper introduces a deep learning model to sample conformational ensembles of dynamic proteins, demonstrating its ability to generate novel conformations and rationalize experimental findings.
bioRxiv · May 5, 2024Biophysics