Here we want to consider how it is affected by the surface solvation effect.
Heteropolymer Sequence Design and Preferential Solvation of Hydrophilic Monomers: One More Application of Random Energy Model
This tells us that the surface solvation effect reduces the number of sequences, smax seq < ln q − s.
Heteropolymer Sequence Design and Preferential Solvation of Hydrophilic Monomers: One More Application of Random Energy Model
Only very careful design, at which Γd/δB d = Γ/δB , would be able to provide the ensemble of sequences adequate to their solvation conditions, in which case the solvation effect does not increase energy and does not rule any sequences out of the competition.
Heteropolymer Sequence Design and Preferential Solvation of Hydrophilic Monomers: One More Application of Random Energy Model
Notice that the condition Γd /δB d = Γ/δB does not involve design temperature, it speciﬁes only the balance of solvation and bulk heteropolymeric effects.
Heteropolymer Sequence Design and Preferential Solvation of Hydrophilic Monomers: One More Application of Random Energy Model
In this paper, we examined the interplay of surface solvation effects and sequence design for protein-like heteropolymer globule.
Heteropolymer Sequence Design and Preferential Solvation of Hydrophilic Monomers: One More Application of Random Energy Model
Ideologically, our treatment of disordered sequences followed the theoretical studies of heteropolymer folding in the works [4, 5, 6, 12], and in our treatment of preferential solvation we used the approach of the work .
Heteropolymer Sequence Design and Preferential Solvation of Hydrophilic Monomers: One More Application of Random Energy Model
Less obvious, we found that the role of preferential solvation for the design itself might be controversial.
Heteropolymer Sequence Design and Preferential Solvation of Hydrophilic Monomers: One More Application of Random Energy Model
Speaking about phase diagram of the heteropolymer globule, we found that surface solvation effect operates differently for the two most typical examples of monomer composition.
Heteropolymer Sequence Design and Preferential Solvation of Hydrophilic Monomers: One More Application of Random Energy Model
Shenkin, P. S., Hollinger, F. P. and Still, W. C. (cid:147)The GB/SA continuum model for solvation. A fast analytical method for the calculation of approximate Born radii.(cid:148) J.
Folding@Home and Genome@Home: Using distributed computing to tackle previously intractable problems in computational biology
Caﬂisch, “FACTS: Fast analytical continuum treatment of solvation,” J.
Efficient pseudo-random number generators for biomolecular simulations on graphics processors
This calculation provided the ﬁrst convincing evidence of the strong inﬂuence of a granular (as opposed to continuous) solvent on the solvation forces at short range.
Effective interactions between electric double-layers
Chakraborty, Nano Devices, 2D Electron Solvation and Curve Crossing Problems: Theoretical Model Investigations (Lambert Academic Publishing, Germany, 2010). Diwaker and A.
Curve crossing induced dissociation : An analytically solvable model
In this letter, we develop a model for high salt concentrations (in excess of 1.5M) in which the solvation shells of the ions strongly overlap.
Dependence of the dielectric constant of electrolyte solutions on ionic concentration
In a ﬁnal analysis the solvation forces between the two hard walls are calculated for two models, D(3, 3) and the equivalent linear chains of N = 22 tangent segments.
Microscopic Density Functional Theory for Dendrimers
At the lowest density, Fig. 3a, the depletion forces dominate, so that the solvation force is attractive for small separations.
Microscopic Density Functional Theory for Dendrimers
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