Publications

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation

Journal of Chemical Theory and Computation, 9(1): 461-469, 2012
Peter Eastman and Mark S. Friedrichs and John D. Chodera and Randall J. Radmer and Christopher M. Bruns and Joy P. Ku and Kyle A. Beauchamp and Thomas J. Lane and Lee-Ping Wang and Diwakar Shukla and Tony Tye and Mike Houston and Timo Stich and Christoph Klein and Michael R. Shirts and Vijay S. Pande
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Understanding the Role of Arginine as an Eluent in Affinity Chromatography via Molecular Computations

The Journal of Physical Chemistry B, 115(11): 2645-2654, 2011
Diwakar Shukla and Laura Zamolo and Carlo Cavallotti and Bernhardt L. Trout
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Complex Interactions between Molecular Ions in Solution and Their Effect on Protein Stability

Journal of the American Chemical Society, 133(46): 18713-18718, 2011
Diwakar Shukla and Curtiss P. Schneider and Bernhardt L. Trout
BibTeX

Effects of Solute-Solute Interactions on Protein Stability Studied Using Various Counterions and Dendrimers

PLoS ONE, 6(11): e27665, 2011
Curtiss P. Schneider and Diwakar Shukla and Bernhardt L. Trout
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Preferential Interaction Coefficients of Proteins in Aqueous Arginine Solutions and Their Molecular Origins

The Journal of Physical Chemistry B, 115(5): 1243-1253, 2011
Diwakar Shukla and Bernhardt L. Trout
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Understanding the Synergistic Effect of Arginine and Glutamic Acid Mixtures on Protein Solubility

The Journal of Physical Chemistry B, 115(41): 11831-11839, 2011
Diwakar Shukla and Bernhardt L. Trout
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Molecular level insight into intra-solvent interaction effects on protein stability and aggregation

Advanced Drug Delivery Reviews, 63(13): 1074-1085, 2011
Diwakar Shukla and Curtiss P. Schneider and Bernhardt L. Trout
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Arginine and the Hofmeister Series: The Role of IontextendashIon Interactions in Protein Aggregation Suppression

The Journal of Physical Chemistry B, 115(22): 7447-7458, 2011
Curtiss P. Schneider and Diwakar Shukla and Bernhardt L. Trout
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Effects of PAMAM Dendrimer Salt Solutions on Protein Stability

The Journal of Physical Chemistry Letters, 2(14): 1782-1788, 2011
Diwakar Shukla and Curtiss P. Schneider and Bernhardt L. Trout
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Interaction of Arginine with Proteins and the Mechanism by Which It Inhibits Aggregation

The Journal of Physical Chemistry B, 114(42): 13426-13438, 2010
Diwakar Shukla and Bernhardt L. Trout
BibTeX