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We present an equilibrium statistical-mechanical theory of selectivity in biological ion channels. In doing so, we introduce a grand canonical ensemble for ions in a channels selectivity filter coupled to internal and external bath solutions for a mixture of ions at arbitrary concentrations, we use linear response theory to find the current through the filter for small gradients of electrochemical potential, and we show that the conductivity of the filter is given by the generalized Einstein relation. We apply the theory to the permeation of ions through the potassium selectivity filter, and are thereby able to resolve the long-standing paradox of why the high selectivity of the filter brings no associated delay in permeation. We show that the Eisenman selectivity relation follows directly from the condition of diffusion-limited conductivity through the filter. We also discuss the effect of wall fluctuations on the filter conductivity.
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We introduce a self-consistent multi-species kinetic theory based on the structure of the narrow voltage-gated potassium channel. Transition rates depend on a complete energy spectrum with contributions including the dehydration amongst species, interaction with the dipolar charge of the filter and, bulk solution properties. It displays high selectivity between species coexisting with fast conductivity, and Coulomb blockade phenomena, and it fits well to data.
We introduce a statistical and linear response theory of selective conduction in biological ion channels with multiple binding sites and possible point mutations. We derive an effective grand-canonical ensemble and generalised Einstein relations for the selectivity filter, assuming strongly coordinated ionic motion, and allowing for ionic Coulomb blockade. The theory agrees well with data from the KcsA K$^+$ channel and a mutant. We show that the Eisenman relations for thermodynamic selectivity follow from the condition for fast conduction and find that maximum conduction requires the binding sites to be nearly identical.
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The statistical properties of protein folding within the {phi}^4 model are investigated. The calculation is performed using statistical mechanics and path integral method. In particular, the evolution of heat capacity in term of temperature is given for various levels of the nonlinearity of source and the strength of interaction between protein backbone and nonlinear source. It is found that the nonlinear source contributes constructively to the specific heat especially at higher temperature when it is weakly interacting with the protein backbone. This indicates increasing energy absorption as the intensity of nonlinear sources are getting greater. The simulation of protein folding dynamics within the model is also refined.
We analyse the effects of environmental noise in three different biological systems: (i) mating behaviour of individuals of emph{Nezara viridula} (L.) (Heteroptera Pentatomidae); (ii) polymer translocation in crowded solution; (iii) an ecosystem described by a Verhulst model with a multiplicative L{e}vy noise.
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