unanswered calcium binding protein

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9 years 7 months ago #4047 by CapitanK
calcium binding protein was created by CapitanK
Hi

I know that this topic has already been covered but I'm wondering if there is any new development that can help.

I'm working with a protein that bind 3 calcium ions. I want to simulate it using the Residue Base CG approach using the martini forcefield with NAMD. I was thinking on using extra bonds or other type of constraint/restraint to simulate the presence of the Ca ions. However I found the question about Ca+2 binding protein posted 4 year ago here and the answer was to place a Qd+2 particle in the Ca+2 binding site. I may try that approach but I will like to get more detail regarding how to acctualy proceed with that.

Thanks.

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