Sameer Varma

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K+ ions seemingly permeate K-channels rapidly because channel binding sites mimic coordination of K+ ions in water. Highly selective ion discrimination should occur when binding sites form rigid cavities that match K+, but not the smaller Na+, ion size or when binding sites are composed of specific chemical groups. Although conceptually attractive, these(More)
These two parameter sets yield different K + →Na + hydration free energy differences. While the parameters from Beglov and Roux (1994) yield a value of −20.7 kcal/mol, the parameters from Noskov and Roux (2008) yield a value of −18.6 kcal/mol. This consequently modifies two entries in Table I (marked by asterisks below), but has no impact on the published(More)
This paper describes the design and operation of an integrated multiscale computational environment for design of nanoscale ion channel semiconductors, the Ion Channel Workbench. The present work builds on an earlier multiscale calculation from our lab [1] in which we showed that this approach could provide a close correspondence to experimental(More)
Collagen fibers are the main components of the extra cellular matrix and the primary contributors to the mechanical properties of tissues. Here we report a novel approach to measure the longitudinal component of the elastic moduli of biological fibers under conditions close to those found in vivo and apply it to type I collagen from rat tail tendon. This(More)
The fusion of Nipah with host cells is facilitated by two of their glycoproteins, the G and the F proteins. The binding of cellular ephrins to the G head domain causes the G stalk domain to interact differently with F, which activates F to mediate virus-host fusion. To gain insight into how the ephrin-binding signal transduces from the head to the stalk(More)
The ensemble of three-dimensional (3-D) configurations exhibited by a molecule, that is, its intrinsic motion, can be altered by several environmental factors, and also by the binding of other molecules. Quantification of such induced changes in intrinsic motion is important because it provides a basis for relating thermodynamic changes to changes in(More)
Phosphohistidine phosphatase 1 (PHPT1), the only known phosphohistidine phosphatase in mammals, regulates phosphohistidine levels of several proteins including those involved in signaling, lipid metabolism, and potassium ion transport. While the high-resolution structure of human PHPT1 (hPHPT1) is available and residues important for substrate binding and(More)
Nipah is an emerging paramyxovirus that is of serious concern to human health. It invades host cells using two of its membrane proteins-G and F. G binds to host ephrins and this stimulates G to activate F. Upon activation, F mediates virus-host membrane fusion. Here we focus on mechanisms that underlie the stimulation of G by ephrins. Experiments show that(More)
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