| 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 | 846 | 2018 |
| 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 | 753 | 2015 |
| 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 | 406 | 2012 |
| 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 | 275 | 2009 |
| 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 | 164 | 2010 |
| 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 | 133 | 2012 |
| 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 | 124 | 2020 |
| 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 | 101 | 2012 |
| 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 | 84 | 2020 |
| 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 | 67 | 2005 |
| 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 | 65 | 2011 |
| 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 | 64 | 2022 |
| Determination of protein structures in the solid state from NMR chemical shifts P Robustelli, A Cavalli, M Vendruscolo Structure 16 (12), 1764-1769, 2008 | 60 | 2008 |
| 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 | 54 | 2013 |
| Thermal adaptation of conformational dynamics in ribonuclease H KA Stafford, P Robustelli, AG Palmer III PLoS computational biology 9 (10), e1003218, 2013 | 32 | 2013 |
| 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 | 31 | 2009 |
| 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 | 28 | 2022 |
| Structure and conformational dynamics of trichothecene mycotoxins WE Steinmetz, P Robustelli, E Edens, D Heineman Journal of natural products 71 (4), 589-594, 2008 | 23 | 2008 |
| Rational optimization of a transcription factor activation domain inhibitor S Basu, P Martínez-Cristóbal, M Frigolé-Vivas, M Pesarrodona, M Lewis, ... Nature structural & molecular biology 30 (12), 1958-1969, 2023 | 14 | 2023 |
| 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 | 13 | 2014 |
David E. ShawD. E. Shaw Research在 deshaw.com 的电子邮件经过验证
