Entropy bounds render quantum corrections to the cosmological constant Λ finite. Under certain assumptions, the natural value of Λ is of order the observed dark energy density ∼ 10 −10 eV 4 , thereby resolving the cosmological constant problem. We note that the dark energy equation of state in these scenarios is w ≡ p/ρ = 0 over cosmo-logical distances, and is strongly disfavored by observation...

Successive parameterizations of the GROMOS force field have been used successfully to simulate biomolecular systems over a long period of time. The continuing expansion of computational power with time makes it possible to compute ever more properties for an increasing variety of molecular systems with greater precision. This has led to recurrent parameterizations of the GROMOS force field all ...

Integral membrane proteins are integrated cotranslationally into the membrane of the endoplasmic reticulum in a process mediated by the Sec61 translocon. Transmembrane α-helices in a translocating polypeptide chain gain access to the surrounding membrane through a lateral gate in the wall of the translocon channel [van den Berg B, et al. (2004) Nature 427:36-44; Zimmer J, et al. (2008) Nature 4...

A heterogeneous conductorlike solvation model (conductorlike screening model/conductorlike polarizable continuum model) that uses different local effective dielectrics for different portions of the solute cavity surface is implemented for quantum chemical Hartree-Fock and Kohn-Sham methods. A variational treatment is used to form the heterogeneous solvation operator, so a simple analytic expres...

The oxides of different Mg/Al ratios (Mg/Al = 0, 0.1, 5, 10 and infinity) were prepared, and the characterization of these oxides was attempted by estimating characteristic interaction parameters based on the solvation parameter model. The magnitudes of the regression coefficients varied with the increase of Mg/Al ratio. For the oxide of Mg/Al = 0.1 and Al2O3, the contribution of these characte...

There is a remarkable wealth of thermodynamic information in freely accessible databases, the LSER database being classical example. The LSER, or Abraham solvation parameter model, very successful predictive tool variety applications (bio)chemical and environmental sector. model associated are rich on intermolecular interactions, which, if extracted properly, would be particularly useful variou...

Solvation is of fundamental importance to biomolecular systems. Implicit solvent models, particularly those based on the Poisson-Boltzmann equation for electrostatic analysis, are established approaches for solvation analysis. However, ad hoc solvent-solute interfaces are commonly used in the implicit solvent theory. Recently, we have introduced differential geometry based solvation models whic...