Journal ArticleAuthors : Mansoor, Sanaa (2023)
Mapping the ensemble of protein conformations that contribute to function and can be targeted by small
molecule drugs remains an outstanding challenge. Here we explore the use of soft-introspective
variational autoencoders for reducing the challenge of dimensionality in the protein structure ensemble
generation problem. We convert high-dimensional protein structural data into a continuous,
low-dimensional representation, carry out search in this space guided&#... 
