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Accurate Predictions of Nonpolar Solvation Free Energies Require Explicit Consideration of Binding-Site Hydration

Continuum solvation methods are frequently used to increase the efficiency of computational methods to estimate free energies. In this paper, we have evaluated how well such methods estimate the nonpolar solvation free-energy change when a ligand binds to a protein. Three different continuum methods at various levels of approximation were considered, viz., the polarized continuum model (PCM), a me

Management of saltpans as potential foraging sites for shorebirds

Abstract Estuaries and salt marshes are important wetlands used by waterbirds during winter and migration. However, many salt-marshes have been transformed into salinas, which currently function as high-tide roosts. Since traditional salt production is no longer profitable, many salinas have been abandoned or converted into aquaculture potentially becoming less attractive to waders. In this study

Seasonal dynamics of haemosporidian (Apicomplexa, Haemosporida) parasites in house sparrows Passer domesticus at four European sites : comparison between lineages and the importance of screening methods

Infectious diseases often vary seasonally in a predictable manner, and seasonality may be responsible for geographical differences in prevalence. In temperate regions, vector-borne parasites such as malaria are expected to evolve lower virulence and a time-varying strategy to invest more in transmission when vectors are available. A previous model of seasonal variation of avian malaria described a