ChemSol on-line

Program ChemSol is designed for the calculations of solvation free energies using the Langevin Dipoles (LD) solvation model, in which the solvent is approximated by polarizable dipoles fixed on a cubic grid. The ChemSol 1.0 and 1.1 programs (download ChemSol 1.1) were used in studies of the chemical reactivity, binding, and conformational flexibility in aqueous solution. The extension of the predictive capabilities of the LD model to hydration entropies has been implemented in the 2.0 and 2.1 versions of the program (download ChemSol 2.1).

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