unanswered Peptide/protein Staples

  • kmcg
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7 months 2 weeks ago #9708 by kmcg
Peptide/protein Staples was created by kmcg
Hi everyone, it's been so long since I have been on this forum. I am excited! Has anyone thought about building staple topologies within Martini? Like how Charmm-GUI allows:

Stapled Peptides
The protein stapling methods available fall into three major categories:
Ring-closing metathesis
Cysteine bis-alkylation
Click reaction
Ring-closing metathesis
This stapling method will cause the selected residues to be mutated to alanine, and linked via alkene metathesis. The metathesis methods differ in:

The length of the alkene used for metathesis (META3-7)
Whether L-alanine (META3-7) or D-alanine (RMETA3-7) is used
For (R)META3-7, the link occurs between:
(R)META3: two propene segments
(R)META4: two butene segments
(R)META5: two pentene segments
(R)META6: two hexene segments
(R)META7: two heptene segments

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