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20132019
most citedSolvophobic and solvophilic contributions in the water-to-aqueous guanidinium chloride transfer free energy of model peptides

11 citations · 12 across the 6 of their papers we have counts for

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physics.chem-ph2019

System size dependence of hydration shell occupancy

D. Asthagiri, Dheeraj Singh Tomar

The free energies to evacuate the first hydration shell around a solute and a cavity defined by the first hydration shell depend on the system size. This observation interpreted wi…

physics.chem-ph2019★ 1 cited

Long-Range Interactions Dominate the Inverse-Temperature Dependence of Polypeptide Hydration Free Energies

Dheeraj S. Tomar, Michael E. Paulaitis, Lawrence R. Pratt +1

Direct, all-atom calculations of the free energy of hydration of aqueous deca-alanine structures --- holistically including backbone and side-chain interactions together --- show t…