Geometric potentials from deep learning improve prediction of CDR H3 loop structures. - Jeffrey A. Ruffolo; Carlos Guerra; Sai Pooja Mahajan; Jeremias Sulam; Jeffrey J. Gray (Bioinform., 2020)

Deep Learning in Protein Structural Modeling and Design. - Wenhao Gao 001; Sai Pooja Mahajan; Jeremias Sulam; Jeffrey J. Gray (Patterns, 2020)

Induced fit with replica exchange improves protein complex structure prediction. - Ameya Harmalkar; Sai Pooja Mahajan; Jeffrey J. Gray (PLoS Comput. Biol., 2022)

NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular Libraries. - Ewa M. Nowara; Pedro O. Pinheiro; Sai Pooja Mahajan; Omar Mahmood; Andrew Martin Watkins; Saeed Saremi; Michael Maser (CoRR, 2024)