Paul Robustelli

Developing a molecular dynamics force field for both folded and disordered protein states

Paul Robustelli, Stefano Piana, David E. Shaw · Proceedings of the National Academy of Sciences · 2018 · 1.1K citations · Full text

Water Dispersion Interactions Strongly Influence Simulated Structural Properties of Disordered Protein States

Stefano Piana, Alexander Donchev, Paul Robustelli et al. · The Journal of Physical Chemistry B · 2015 · 905 citations · Full text

Engineering, Biochemistry, Protein Folding +12

Structure of an Intermediate State in Protein Folding and Aggregation

Philipp Neudecker, Paul Robustelli, Andrea Cavalli et al. · Science · 2012 · 403 citations

Protein Assembly, Molecular Biology, Fibrillar Aggregates +19

Fast and Accurate Predictions of Protein NMR Chemical Shifts from Interatomic Distances

Kai Kohlhoff, Paul Robustelli, Andrea Cavalli et al. · Journal of the American Chemical Society · 2009 · 264 citations

Accurate Predictions, Biochemistry, Biomolecular Structure Prediction +14

Development of a Force Field for the Simulation of Single-Chain Proteins and Protein–Protein Complexes

Stefano Piana, Paul Robustelli, Dazhi Tan et al. · Journal of Chemical Theory and Computation · 2020 · 208 citations