Code: github.com/oxpig/ITsFle...
Paper: www.nature.com/articles/s42...
Thanks to my co-authors Monica Fernández-Quintero, Sai Raghavan, Hannah Turner, Anant Gharpure, Johannes Loeffler, Catherine Wong, Guy Georges, Alexander Bujotzek, Andrew Ward, and Charlotte Deane
In our latest work, focusing on antibody and TCR CDRs, we take a step towards addressing this challenge:
1. We release ALL-conformations, a large dataset of 1.2 million structures capturing all experimentally observed conformational states of CDR3 loops and related loop motifs.
Predicting protein conformational flexibility remains a major challenge in structural biology. While we can now accurately model static protein structures, understanding their dynamics is still difficult, largely due to a lack of suitable training data.