Hi all.
I am performing a study of protein solvent interaction energies by using G53a6 protein force field. The electrostatic interaction energies of the hydrophobic parts of the protein is low, probably due to the small charges of those groups. Is it known that the united atom approach of the aliphatic carbons employed in the G53a6 force field give smaller electrostatic energies than all-atom force fields for hydrophobic amino acids? After all, the CHn groups are assigned a charge of 0 so the interaction energy should not be higher at least. Is the effect negligible? Any reference to such a study? Thank you Matteus --------------------------------------------------------- Matteus Lindgren, graduate student Department of Chemistry, Umeå University SE-901 87 Umeå, Sweden Phone: +46 (0)90-7865368
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