//
sign in
Post
by @danabra.mov
PostEmbed
by @danabra.mov
Record
by @jimpick.com
Record
by @atsui.org
+ new component
Post
Enhorabuena! The first paper of 2025! We report the parametrization of the MST model for the prediction of hydration free energies based on ddCOSMO strategy. We also introduce several novelties in MST for both ddCOSMO and IEFPCM. onlinelibrary.wiley.com/doi/10.1002/... #compchem
Jan 11, 2025
We report the extension of the Miertus–Scrocco–Tomasi continuum model for the prediction of hydration free energies of molecules based on the domain decomposition formulation of COSMO, which allows a...
onlinelibrary.wiley.com
Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO‐MST Continuum Solvation Model
Renato D. Cunha