no code implementations • 14 Dec 2021 • Jeffrey A. Ruffolo, Jeffrey J. Gray, Jeremias Sulam
Understanding the composition of an individual's immune repertoire can provide insights into this process and reveal potential therapeutic antibodies.
1 code implementation • bioRxiv 2021 • Deniz Akpinaroglu, Jeffrey A. Ruffolo, Sai Pooja Mahajan, Jeffrey J. Gray
When compared to alternative rotamer repacking methods, which require an input backbone structure, DeepSCAb predicts side chain conformations competitively.
no code implementations • 15 Oct 2020 • Ameya Harmalkar, Jeffrey J. Gray
Computational docking methods can provide structural models of protein-protein complexes, but protein backbone flexibility upon association often thwarts accurate predictions.
Biomolecules
no code implementations • 16 Jul 2020 • Wenhao Gao, Sai Pooja Mahajan, Jeremias Sulam, Jeffrey J. Gray
Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling.