Dear all,
I try to get an MD simulation running of a serin protease where the
active site serin is inhibited by Diisopropylfluorophosphate (DFP). I
know there is a topology for phosphoserin but how do I get a topology
for the additional isopropyl groups and how do I treat this "special"
amino acid?
Help is very much appreciated!
Cheers
Marc-Michael Blum
----------------------------------
Institute of Biophysical Chemistry
J.W. Goethe University
Frankfurt - Germany
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