Re: [gmx-users] ZNO-HSA (Human Serum albumin) Interaction

2018-02-21 Thread Smith, Micholas D.
rg Subject: [gmx-users] ZNO-HSA (Human Serum albumin) Interaction Dear Gromacs Users; I am studying the toxicity effect of ZnO nanoparticle (with a partial charges of +1.026 and -1.026 for Zinc and Oxygen atoms, respectively) on the Albumin structure by Gromacs. For MD simulation the n

[gmx-users] ZNO-HSA (Human Serum albumin) Interaction

2018-02-21 Thread Hassan Aaryapour
Dear Gromacs Users; I am studying the toxicity effect of ZnO nanoparticle (with a partial charges of +1.026 and -1.026 for Zinc and Oxygen atoms, respectively) on the Albumin structure by Gromacs. For MD simulation the nanoparticle was placed at a distance of 1nm of protein, after running