Mahajan, Sai Pooja

Deep Learning in Protein Structural Modeling and Design

Gao, W., Mahajan, S. P., Sulam, J., & Gray, J. J. (2020) · Patterns

Protein Structure and DynamicsMachine Learning in Bioinformatics

Cited by 227

Simultaneous prediction of antibody backbone and side-chain conformations with deep learning

Akpinaroglu, D., Ruffolo, J. A., Mahajan, S. P., & Gray, J. J. (2022) · PLOS ONE

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 21

Hallucinating structure-conditioned antibody libraries for target-specific binders

Mahajan, S. P., Ruffolo, J. A., Frick, R., & Gray, J. J. (2022) · Frontiers in Immunology

Monoclonal and Polyclonal Antibodies Researchvaccines and immunoinformatics approaches

Cited by 20

Induced fit with replica exchange improves protein complex structure prediction

Harmalkar, A., Mahajan, S. P., & Gray, J. J. (2021) · PLoS Computational Biology

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 16

Induced fit with replica exchange improves protein complex structure prediction

Harmalkar, A., Mahajan, S. P., & Gray, J. J. (2022) · PLOS Computational Biology

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 16

Contextual protein and antibody encodings from equivariant graph transformers

Mahajan, S. P., Ruffolo, J. A., & Gray, J. J. (2023) · Cell Systems

Protein Structure and DynamicsMachine Learning in Bioinformatics

Cited by 3