Re: [PyMOL] Help - how mutation affects protein structure

2022-04-12 Thread Marco Sette
Dear Susanna, in addition to MD calculations I suggest you to perform a check on your mutated protein. Circular dichroism is a simple technique that allows to monitor the global fold of your protein. Mutating a residue may affect the folding and this seems an underestimated problem in the li

Re: [PyMOL] Help - how mutation affects protein structure

2022-04-12 Thread Sorin Draga
Hi Susanna, As you can see, pymol allows you to mutate residues. However, in order to assess their influence, you should most likely run MD simulations on both the wild type protein and mutant(s) and compare. Kind regards, Sorin On Tue, Apr 12, 2022, 5:35 PM susanna pagni wrote: > Hello, > >