Doubts enzyme-ligand simulation

[SREESHMARAJ K]

Hello,

I want to perform enzyme ligand simulation. I have one apoenzyme and 5 potential ligands. Here in this case should i use the protein_ligand complex tutorial or is there any other  tutorials for this type of simulation. I dont have any idea in enzyme-ligand simulation, please give me some guidance.

Thank you in advance

[Mario Ernesto]

This group is intended to provide support for gmx_MMPBSA-related issues... There are other resources for protein-ligand MD simulations-related questions

https://gromacs.bioexcel.eu/top?period=monthly

--
You received this message because you are subscribed to the Google Groups "gmx_MMPBSA" group.
To unsubscribe from this group and stop receiving emails from it, send an email to gmx_mmpbsa+...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/gmx_mmpbsa/7474e05d-2b05-40c6-b31a-6ce18319b295n%40googlegroups.com.
For more options, visit https://groups.google.com/d/optout.