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physics.bio-ph2011★ 1 cited
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…
physics.bio-ph2009
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…
physics.bio-ph2008★ 59 cited
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…