Re: CCL:solvation energies
Hi Irena!
Electrostatic (polar) solvation free energies ->
look for UHBD (FDPB continuum solvent model) or
the TINKER package (GB model) or
AMBER 6 (GB too)
For the non-polar (SA dependent) solvation free energies:
TINKER too and
many other packages implemmenting the Connolly algorithm.
Best regards
Felipe
--
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* Felipe Pineda,PhD *
* Institut fuer Molekulare Biotechnologie *
* AG Theoretische Biophysik *
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* DISCLAIMER: Unless indicated otherwise, everything in this note is *
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