From: Martin, Erik W (Erik.Martin_at_stjude.org)
Date: Wed Nov 14 2012 - 11:45:32 CST
Hi, I was wondering if anyone knew of any generic parameters for acylated and amidated amino acids. I'm thinking of simulating binding of some small peptides a colleague of mine measured experimentally – when he had the peptides synthesized he had them N-terminal acylated and C – terminal amidated. If anyone knows of some parameter sets, it would make my life easier. I'd use either charmm or amber.
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