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<p class=MsoNormal>Hi all.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal><span lang=EN-US>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. <o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p>
<p class=MsoNormal><span lang=EN-US>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?<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p>
<p class=MsoNormal><span lang=EN-US>Thank you <o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US>Matteus<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"Times New Roman","serif"'>--------------------------------------------------------- <o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:10.0pt;font-family:"Arial","sans-serif"'>Matteus
Lindgren, graduate student<br>
Department of Chemistry, Umeå University <br>
SE-901 87 Umeå, Sweden<br>
Phone: +46 (0)90-7865368 <o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:12.0pt;font-family:"Times New Roman","serif"'> <o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p>
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