Portrait of Nandan Haloi

Nandan Haloi, PhD

Computational biophysics · molecular dynamics · cryo-EM · machine learning for drug discovery

Postdoctoral Researcher · Stockholm University · SciLifeLab · Stockholm, Sweden

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About

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

  1. 2026
    CryoLigATE: enhancing the resolvability of cryo-EM maps in protein-ligand complexes using deep learningN. Haloi, R. J. Howard, E. Lindahl
    In preparation · github.com/nandanhaloi123/CryoLigate
  2. 2026
    Visualizing activation of the muscle acetylcholine receptor
    M. P. Dalton, J. Teng, B. Bhattacharjee, N. Haloi, R. J. Howard, B. T. Worrell, E. Lindahl, M. H. B. Stowell, R. E. Hibbs
    Nature Structural & Molecular Biology, under revision
  3. 2026
    An 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-Ohm
    bioRxiv
  4. 2026
    Lipid-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. Howard
    Advanced Science, 0:e15713