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Paul Robustelli
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Water dispersion interactions strongly influence simulated structural properties of disordered protein states
S Piana, AG Donchev, P Robustelli, DE Shaw
The journal of physical chemistry B 119 (16), 5113-5123, 2015
6262015
Developing a molecular dynamics force field for both folded and disordered protein states
P Robustelli, S Piana, DE Shaw
Proceedings of the National Academy of Sciences 115 (21), E4758-E4766, 2018
6222018
Structure of an intermediate state in protein folding and aggregation
P Neudecker, P Robustelli, A Cavalli, P Walsh, P Lundström, ...
Science 336 (6079), 362-366, 2012
3682012
Fast and accurate predictions of protein NMR chemical shifts from interatomic distances
KJ Kohlhoff, P Robustelli, A Cavalli, X Salvatella, M Vendruscolo
Journal of the American Chemical Society 131 (39), 13894-13895, 2009
2522009
Using NMR chemical shifts as structural restraints in molecular dynamics simulations of proteins
P Robustelli, K Kohlhoff, A Cavalli, M Vendruscolo
Structure 18 (8), 923-933, 2010
1472010
Interpreting protein structural dynamics from NMR chemical shifts
P Robustelli, KA Stafford, AG Palmer III
Journal of the American Chemical Society 134 (14), 6365-6374, 2012
1202012
Characterization of the conformational equilibrium between the two major substates of RNase A using NMR chemical shifts
C Camilloni, P Robustelli, AD Simone, A Cavalli, M Vendruscolo
Journal of the American Chemical Society 134 (9), 3968-3971, 2012
952012
Development of a force field for the simulation of single-chain proteins and protein-protein complexes
S Piana*, P Robustelli*, D Tan, S Chen, DE Shaw
Journal of Chemical Theory and Computation 16 (4), 2494-2507, 2020
742020
Molecular switch based on a biologically important redox reaction
P Yan, MW Holman, P Robustelli, A Chowdhury, FI Ishak, DM Adams
The Journal of Physical Chemistry B 109 (1), 130-137, 2005
682005
Effects of the known pathogenic mutations on the aggregation pathway of the amyloidogenic peptide of Apolipoprotein AI
S Raimondi, F Guglielmi, S Giorgetti, S Di Gaetano, A Arciello, DM Monti, ...
Journal of Molecular Biology, 2011
612011
Mechanism of coupled folding-upon-binding of an intrinsically disordered protein
P Robustelli, S Piana, DE Shaw
Journal of the American Chemical Society 142 (25), 11092-11101, 2020
542020
Determination of protein structures in the solid state from NMR chemical shifts
P Robustelli, A Cavalli, M Vendruscolo
Structure 16 (12), 1764-1769, 2008
542008
Conformational dynamics of the partially disordered yeast transcription factor GCN4
P Robustelli, N Trbovic, RA Friesner, AG Palmer III
Journal of chemical theory and computation 9 (11), 5190-5200, 2013
442013
Thermal adaptation of conformational dynamics in ribonuclease H
KA Stafford, P Robustelli, AG Palmer III
PLoS computational biology 9 (10), e1003218, 2013
292013
Folding of small proteins by Monte Carlo simulations with chemical shift restraints without the use of molecular fragment replacement or structural homology
P Robustelli, A Cavalli, CM Dobson, M Vendruscolo, X Salvatella
The Journal of Physical Chemistry B 113 (22), 7890-7896, 2009
262009
Molecular basis of small-molecule binding to α-synuclein
P Robustelli, A Ibanez-de-Opakua, C Campbell-Bezat, F Giordanetto, ...
Journal of the American Chemical Society 144 (6), 2501-2510, 2022
252022
Structure and conformational dynamics of trichothecene mycotoxins
WE Steinmetz, P Robustelli, E Edens, D Heineman
Journal of natural products 71 (4), 589-594, 2008
242008
Functional implications of large backbone amplitude motions of the glycoprotein 130‐binding epitope of interleukin‐6
R Bobby, P Robustelli, AV Kralicek, M Mobli, GF King, J Grötzinger, ...
The FEBS journal 281 (10), 2471-2483, 2014
112014
Small Molecules Targeting the Disordered Transactivation Domain of the Androgen Receptor Induce the Formation of Collapsed Helical States
J Zhu, X Salvatella, P Robustelli
Nature Communications 13 (1), 1-15, 2022
62022
Quantifying the relationship between conformational dynamics and enzymatic activity in ribonuclease HI homologues
JA Martin, P Robustelli, AG Palmer III
Biochemistry 59 (35), 3201-3205, 2020
22020
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Articles 1–20