Hi,
What is the easiest way (software) for protein-SWCNT (single wall carbon nanotube) binding site prediction?
Eventually, I want to know what is the sites on the protein(s) with the highest probability of binding to a carbon nanotube. The papers that make a simulations for Protein-Ligand complex, use a big variety of different software like Gromacs, Amber etc. So I would be happy for advice which software to choose for the particular topic when the ligand is a single wall carbon nanotube, and the fact that our lab never perform such simulations before.
Thank you.
I am not an expert in the field. However, I do feel that you should elaborate a bit more about your question.
- Conrad
Dr Conrad Rizal , thank you for your comment. I made an edition to the question.
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