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Re: [modeller_usage] Molecular Dynamic Simulation

On 05/25/2015 02:08 PM, shazia sabir wrote:

Does MODELLER has option for molecular dynamic simulation of protein? I
got model of query protein from FGF23 wild type using as template. Next
I have to see changes because of the single amino acid change at a
position. I have to see the interaction of molecule with it receptors
after mutation. Can I use MODELLER for this purpose? For closer look at
its molecule plus its interaction with receptor?
Modeller does include a molecular dynamics integrator, but it is pretty basic. You'd probably be better off using a dedicated MD package like CHARMM, AMBER or GROMACS for this application. 

	Ben Webb, Modeller Caretaker
--
             http://www.salilab.org/modeller/
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