1 citations · 1 across the 3 of their papers we have counts for
3 papers
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…
physics.chem-ph2013
Examining the meaning of the peptide transfer free energy obtained from blocked (Gly)_n and cyclic-diglycine model compounds
D. Asthagiri, D. S. Tomar, V. Weber
In experiments, the free energy of transferring the peptide group from water to an osmolyte solution is obtained using the transfer free energy of (Gly)_n with the added assumption…