93 citations · 395 across the 25 of their papers we have counts for
4 papers · 1 filter
Detecting temperature fluctuations at equilibrium
Purushottam D. Dixit
Gibbs and Boltzmann definitions of temperature agree only in the macroscopic limit. The ambiguity in identifying the equilibrium temperature of a finite sized `small' system exchan…
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…
An elastic-network based local molecular field analysis of zinc-finger proteins
Purushottam D. Dixit, D. Asthagiri
We study two designed and one natural zinc-finger peptide each with the Cys2His2 (CCHH) type of metal binding motif. In the approach we have developed, we describe the role of the…
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…