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Questions related from Ishrat Jahan
Dear all, I have performed MD simulation of protein in water and in osmolytes. Now, I want to calculate the SDF of water and osmolyte molecules around particular loops of the protein using gromacs...
05 June 2020 7,823 0 View
Dear all, I have performed MD simulation of protein in water and in osmolytes. Now, I want to calculate the SDF of water and osmolyte molecules around particular loops of the protein using...
31 May 2020 5,353 0 View
Dear all, I have done the MD simulation of protein using gromos53a5 ff. I want to do the simulation of protein in urea-tmao mixture. Can I use the Kast2016 model of tmao with protein? Is kast 2016...
04 March 2020 617 2 View
Dear all, I have calculated the PIC of osmolytes using the following steps. Please correct me if i m wrong at any point. 1. First i have calculated no. Of water and osmolytes molecule within 0.4...
28 January 2019 255 0 View
Dear all, I am trying to calculate the preferential interaction coefficient of osmolytes with protein from COM of protein. I had tried to calculate it using gmx select command of gromacs but when...
14 January 2019 7,664 2 View
