59 citations · 130 across the 7 of their papers we have counts for
4 papers · 1 filter
Range of ion specific effects in the hydration of ions
Safir Merchant, D. Asthagiri
Within the quasichemical approach, the hydration free energy of an ion is decomposed into a chemical term accounting for ion specific ion-water interactions within the coordination…
Ion-water clusters, bulk medium effects, and ion hydration
Safir Merchant, Purushottam D. Dixit, Kelsey R. Dean +1
Thermochemistry of gas-phase ion-water clusters together with estimates of the hydration free energy of the clusters and the water ligands are used to calculate the hydration free…
On inferring the ion selectivity of the KcsA potassium channel using the distribution of coordination states of the aqueous ions
P. D. Dixit, S. Merchant, D. Asthagiri
The S site of the KcsA K channel has eight carbonyl ligands in the ion-binding site. A recent study suggests that the K-over-Na selectivity of the S site can be…
Role of attractive methane-water interactions in the potential of mean force between methane molecules in water
D. Asthagiri, Safir Merchant, Lawrence R. Pratt
On the basis of a gaussian quasi-chemical model of hydration, a model of non van der Waals character, we explore the role of attractive methane-water interactions in the hydration…