Hi all,
I want to simulate the interaction between a protein and a fatty acid ester,
namely Ethylene Glycol Monolaurate.
Do you think it makes sense to use the Lipid17 parameters for the lauryl
chain here and combine it with GAFF2 parameters for ethylene glycol?
What’s the best way to build such a molecule?
Thanks a lot for your help!
Kind regards,
Andy
Andreas Tosstorff, M.Sc. Chemistry, PhD Student
Ludwig-Maximilians-University Munich
Department of Pharmacy
Pharmaceutical Technology & Biopharmaceutics
Butenandtstr. 5
D-81377 München
Tel: +49 89 2180 77059
Fax: +49 89 2180 77020
<mailto:Andreas.Tosstorff.cup.uni-muenchen.de>
Andreas.Tosstorff.cup.uni-muenchen.de
<
http://www.cup.uni-muenchen.de/pb/aks/winter/>
http://www.cup.uni-muenchen.de/pb/aks/winter/
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Received on Mon Dec 10 2018 - 13:30:01 PST
