
Nandan Haloi, PhD
Computational biophysics · molecular dynamics · cryo-EM · machine learning for drug discovery
Postdoctoral Researcher · Stockholm University · SciLifeLab · Stockholm, Sweden
Download CVAbout
Nandan Haloi is a researcher in computational biophysics at Stockholm University, working with Prof. Erik Lindahl. His research develops multiscale methods at the intersection of molecular dynamics simulations, cryo-electron microscopy, and machine learning to understand membrane protein function–dynamics and to accelerate drug discovery.
He earned his PhD in Biophysics and Quantitative Biology from the University of Illinois at Urbana-Champaign under the supervision of Prof. Emad Tajkhorshid, and has since held postdoctoral positions at KTH Royal Institute of Technology (as a Marie Skłodowska-Curie Fellow) and, in collaboration with Janssen Pharmaceutical, at Stockholm.
His work has appeared in Science Advances, Neuron, Nature Communications, PNAS, and PLOS Computational Biology, and has been supported by EuroHPC, Marie Curie, EMBO, and Blue Waters. He is an active mentor of graduate students and a committee member of SciLifeLab's DEI committee.
Research Expertise
- Machine Learning
- Molecular Dynamics Simulations
- Cryo-EM Data Processing
- Drug Discovery
- Structure Prediction
- Membrane Protein Function & Dynamics
Latest Publications
- 2026CryoLigATE: enhancing the resolvability of cryo-EM maps in protein-ligand complexes using deep learningN. Haloi, R. J. Howard, E. LindahlIn preparation · github.com/nandanhaloi123/CryoLigate
- 2026Visualizing activation of the muscle acetylcholine receptorM. P. Dalton, J. Teng, B. Bhattacharjee, N. Haloi, R. J. Howard, B. T. Worrell, E. Lindahl, M. H. B. Stowell, R. E. HibbsNature Structural & Molecular Biology, under revision
- 2026An atomic interaction conserved for over 600 million years gates inhibitory neurotransmissionC. M. Borghese, N. G. Desai, P. Garlapati, S. K. Shah, J. D. Galpin, L. Segura, N. Haloi, H. H. Zakon, R. J. Howard, E. Lindahl, C. A. Ahern, M. P. Goldschen-OhmbioRxiv
- 2026Lipid-facilitated opening of the ADAM10 sheddase revealed by enhanced sampling simulationsA. Schahl, N. Haloi, M. Carroni, S. Zhang, Q. J. Sattentau, E. Sezgin, L. Delemotte, R. HowardAdvanced Science, 0:e15713