Sorour Hassani

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Questions related from Sorour Hassani

CYP2D6 MD simulation?

Im working on simulating a CYP2D6 with its cofactors (heme ) with GROMACS. When I run pdb2gmx, using CHARMM27 FF, I had no error.After looking in the literature, I found their corresponding...

08 August 2017 6,873 2 View

Could I use swissparam provides topology and parameters for small organic molecules compatible with the Gromos96 53a6 force field?

I run MD simulation of protein Ligand. is it good to use swissParam for building topology of Ligand using Gromos

02 February 2016 5,190 2 View