AMBER Archive (2002)

Subject: Hydrophobic protein in water

From: Luo Liu (bio30529_at_stud.uni-stuttgart.de)
Date: Sun Nov 24 2002 - 16:52:20 CST

Hello, everybody
I have to simulate a protein in water (in AMBER 6), but the problem is that the protein is very difficult to be equilibrated. I suggest the reason is that the protein is not good soluble and has a large hydrophobic surface. I want to add some neutral detergents to protect the hydrophobic surface. But I don't know how can I do it, and which detergent should I use.
Thanks 

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Luo Liu
Institute of Technical Biochemistry
University of Stuttgart
Allmandring 31
70569 Stuttgart
phone: +49-711-6857481
fax:   +49-711-6853196

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