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1

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

Robustelli, Paul, Piana, Stefano, Shaw, David E.

Journal:

Proceedings of the National Academy of Sciences

Year:

2018

Language:

english

File:

PDF, 997 KB

english, 2018

2

Development of a force field for the simulation of single-chain proteins and protein-protein complexes

Piana, Stefano, Robustelli, Paul, Tan, Dazhi, Chen, Songela, Shaw, David E.

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 1.40 MB

2020

3

Uncertainty estimates for the FAPAR operational products derived from MERIS — Impact of top-of-atmosphere radiance uncertainties and validation with field data

Nadine Gobron, Bernard Pinty, Ophélie Aussedat, Malcolm Taberner, Olga Faber, Frédéric Mélin, Thomas Lavergne, Monica Robustelli, Paul Snoeij

Journal:

Remote Sensing of Environment

Year:

2008

Language:

english

File:

PDF, 2.27 MB

english, 2008

4

Interpreting Protein Structural Dynamics from NMR Chemical Shifts

Robustelli, Paul, Stafford, Kate A., Palmer, Arthur G.

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 3.48 MB

english, 2012

5

Molecular Switch Based on a Biologically Important Redox Reaction

Yan, Ping, Holman, Michael W., Robustelli, Paul, Chowdhury, Arindam, Ishak, Fady I., Adams, David M.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 434 KB

english, 2005

6

Determination of Protein Structures in the Solid State from NMR Chemical Shifts

Paul Robustelli, Andrea Cavalli, Michele Vendruscolo

Journal:

Year:

2008

Language:

english

File:

PDF, 411 KB

english, 2008

7

Using NMR Chemical Shifts as Structural Restraints in Molecular Dynamics Simulations of Proteins

Paul Robustelli, Kai Kohlhoff, Andrea Cavalli, Michele Vendruscolo

Journal:

Year:

2010

Language:

english

File:

PDF, 1.11 MB

english, 2010

8

Conformational Dynamics of the Partially Disordered Yeast Transcription Factor GCN4

Robustelli, Paul, Trbovic, Nikola, Friesner, Richard A., Palmer, Arthur G.

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 464 KB

english, 2013

9

Structure and Conformational Dynamics of Trichothecene Mycotoxins

Steinmetz, Wayne E., Robustelli, Paul, Edens, Eric, Heineman, David

Journal:

Journal of Natural Products

Year:

2008

Language:

english

File:

PDF, 426 KB

english, 2008

10

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

Kohlhoff, Kai J., Robustelli, Paul, Cavalli, Andrea, Salvatella, Xavier, Vendruscolo, Michele

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 661 KB

english, 2009

11

Characterization of the Conformational Equilibrium between the Two Major Substates of RNase A Using NMR Chemical Shifts

Camilloni, Carlo, Robustelli, Paul, Simone, Alfonso De, Cavalli, Andrea, Vendruscolo, Michele

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 1009 KB

english, 2012

12

Folding of Small Proteins by Monte Carlo Simulations with Chemical Shift Restraints without the Use of Molecular Fragment Replacement or Structural Homology

Robustelli, Paul, Cavalli, Andrea, Dobson, Christopher M., Vendruscolo, Michele, Salvatella, Xavier

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 950 KB

english, 2009

13

Functional implications of large backbone amplitude motions of the glycoprotein 130-binding epitope of interleukin-6

Bobby, Romel, Robustelli, Paul, Kralicek, Andrew V., Mobli, Mehdi, King, Glenn F., Grötzinger, Joachim, Dingley, Andrew J.

Journal:

Year:

2014

Language:

english

File:

PDF, 6.26 MB

english, 2014

14

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

Piana, Stefano, Donchev, Alexander G., Robustelli, Paul, Shaw, David E.

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 1.80 MB

english, 2015

15

Developing Force Fields for the Accurate Simulation of Both Ordered and Disordered Protein States

Robustelli, Paul, Piana, Stefano, Shaw, David E.

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 46 KB

english, 2017

16

Improved Physical Models Enable the Investigation of Molecular Recognition in Intrinsically Disordered Proteins at Atomistic Rsolution

Robustelli, Paul, Piana-Agostinetti, Stefano, de Opakua, Alain Ibáñez, Giordanetto, Fabrizio, Campbell-Bezat, Cecily K., Becker, Stefan, Pan, Albert C., Zweckstetter, Markus, Shaw, David E.

Journal:

Biophysical Journal

Year:

2019

Language:

english

File:

PDF, 45 KB

english, 2019

17

The mechanism of coupled folding-upon-binding of an intrinsically disordered protein

Robustelli, Paul, Piana, Stefano, Shaw, David E.

Journal:

Journal of the American Chemical Society

Year:

2020

File:

PDF, 1.12 MB

2020

18

Quantifying the Relationship between Conformational Dynamics and Enzymatic Activity in Ribonuclease HI Homologues

Martin, James A., Robustelli, Paul, Palmer, Arthur G.

Journal:

Year:

2020

File:

PDF, 1.93 MB

2020