Sampling Conformational Ensembles of Highly Dynamic Proteins via Generative Deep Learning
Talant Ruzmetov, T. I. Hung, Saisri Padmaja Jonnalagedda, Sihan Chen, Parisa Fasihianifard, Zhefeng Guo, Bir Bhanu, Chia‐en 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.
Journal of Chemical Information and Modeling · Feb 21, 2025Peer-reviewedBiophysics