معرفی
Paul Robustelli is an Assistant Professor of Chemistry at Dartmouth College with appointments in the Neukom Cluster of Computational Science and the Department of Biochemistry and Cell Biology. His research focuses on developing computational methods to obtain atomic-level descriptions of biomolecular functional motions, with particular expertise in intrinsically disordered proteins (IDPs).
Dr. Robustelli received his B.A. from Pomona College (2002-2006), followed by a Ph.D. from the University of Cambridge under Michele Vendruscolo (2006-2011). He then completed an NSF Postdoctoral Fellowship at Columbia University with Arthur G. Palmer III (2011-2013), and worked as a Scientist at D.E. Shaw Research (2013-2019) before joining Dartmouth.
His research program centers on using atomistic molecular simulations to model conformational dynamics and molecular recognition mechanisms of IDPs. The Robustelli group aims to use simulation insights to understand, predict, and design new dynamic IDP binding interactions. Current research focuses include understanding small molecule binding to IDPs, dissecting intermolecular interactions driving IDP phase separation and aggregation, and designing small molecule and biologic IDP binders. The group's methodological expertise spans enhanced sampling algorithms, Markov-state models, dimensionality reduction techniques, and force field parameterization.
Analysis of recent publications (2022-2025) reveals a strong research trajectory focused on IDP drug targeting, particularly for the androgen receptor in prostate cancer, alongside fundamental method development for simulating disordered protein states. His work frequently integrates computational approaches with NMR spectroscopy data to validate simulation results.
- NSF Postdoctoral Fellow
Dr. Robustelli actively recruits graduate students through Dartmouth's Chemistry and Molecular & Cell Biology PhD programs, seeking candidates with expertise in molecular simulation techniques. His laboratory has access to excellent NMR facilities with high-throughput screening capabilities, supporting interdisciplinary research at the computation-experiment interface. The group maintains strong collaborations across Dartmouth's biomedical research community, including the Geisel School of Medicine, Institute for Biomolecular Targeting, and Norris Cotton Cancer Center.
