Paul Robustelli

Academic Appointments
  • Assistant Professor of Chemistry

  • Neukom Cluster of Computational Science

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The Robustelli group develops and applies computational methods to obtain atomic-level descriptions of the functional motions of biomolecules, with a particular interest in intrinsically disordered proteins. 

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Burke 203
HB 6128


  • B.A. Pomona College 2002-2006
  • Ph.D. University of Cambridge (with Michele Vendruscolo) 2006-2010
  • NSF Postdoctoral Fellow, Columbia University (with Arthur G. Palmer III) 2010-2013
  • Scientist, D.E. Shaw Research 2013-2019

Selected Publications

  • Piana S*, Robustelli P*, Tan D,  Chen S, Shaw DE. "Development of a force field for the simulation of single-chain proteins and protein-protein complexes" Journal of Chemical Theory and Computation (2020) DOI: 10.1021/acs.jctc.9b00251

    Robustelli P, Piana S, Shaw DE "Developing a molecular dynamics force field for both folded and disordered protein states." Proceedings of the National Academy of Sciences (2018), 115(21):E4758-E4766.

    Piana S, Donchev AG, Robustelli P, Shaw DE. Water dispersion interactions strongly influence simulated structural properties of disordered protein states. The Journal of Physical Chemistry B. 2015, 119(16):5113-23.

    Robustelli P, Stafford KA, Palmer III AG. Interpreting protein structural dynamics from NMR chemical shifts. Journal of the American Chemical Society. (2012) 134(14):6365-74.

    Neudecker P, Robustelli P, Cavalli A, Walsh P, Lundström P, Zarrine-Afsar A, Sharpe S, Vendruscolo M, Kay LE. "Structure of an intermediate state in protein folding and aggregation. Science. (2012) 336(6079):362-366.

    Robustelli P, Kohlhoff K, Cavalli A, Vendruscolo M. Using NMR chemical shifts as structural restraints in molecular dynamics simulations of proteins. Structure. (2010) 18(8):923-33.