Harmalkar, Ameya

Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer

Chu, L.-S., Ruffolo, J. A., Harmalkar, A., & Gray, J. J. (2023) · Protein Science

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 42

Flexible protein–protein docking with a multitrack iterative transformer

Chu, L., Ruffolo, J. A., Harmalkar, A., & Gray, J. J. (2024) · Protein Science

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 41

Reliable protein-protein docking with AlphaFold, Rosetta, and replica-exchange

Harmalkar, A., Lyskov, S., & Gray, J. J. (2023) · eLife

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 40

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

Advancing membrane-associated protein docking with improved sampling and scoring in Rosetta

Samnata, R., Harmalkar, A., Prathima, P., & Gray, J. J. (2024) · Journal of Chemical Theory and Computation

Protein Structure and DynamicsLipid Membrane Structure and Behavior

Cited by 5