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Questions related from Devashish Das
Dear All, I want to do constant pH MD for an enzyme. For the analysis, I want to know, is there any way to calculate pH of static pdb structure? I have pKa (individual residue) and charge (whole...
03 March 2018 4,161 8 View
Dear all, For my research, I need the 3D structure of the sodium channel. Can anyone guide me how to make the complete strucutre for sodium channel?
03 March 2016 8,688 1 View
Dear All, I want to if there is any protocol available to simulate and analyze the entry of a drug to a binding pocket of a protein as well as binding at that position. All I could find is the...
09 September 2014 4,662 3 View
Can someone please explain how computers identify rings and chains (and complete structure) from a Coordinate file (PDB or Mol2)?
04 April 2014 2,780 5 View
Can any guide me with the process of installing Gromacs on Windows? Please note that I have Cygwin installed and on my system FTP is blocked.
12 December 2013 8,979 0 View
My team and I finished a couple of projects in Cancer informatics (Drug Designing). We want to publish them now, but, a fairly good computational bioinformatics journals, were quoting us a hefty...
09 September 2013 2,478 9 View
I mean, (I am not very familiar with protein-protein binding) can a drug accelerate (or oppose) the protein-binding? If yes, then which p-p docking method should I follow (Which have a suitable...
05 May 2013 7,752 1 View