Devashish Das

7 Questions 8 Answers 0 Followers

Questions related from Devashish Das

How to calculate pH of Protein structure?

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 4,152 8 View

Sodium ion channel structure?

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 8,677 1 View

What is the protocol for studying the Molecular Dynamics of Drug Entry and binding with protein?

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 4,654 3 View

How do computers Visualize chemical structure?

Can someone please explain how computers identify rings and chains (and complete structure) from a Coordinate file (PDB or Mol2)?

04 April 2014 2,765 5 View

Can anyone help with Gromacs on Windows?

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 8,964 0 View

Publishing Articles as Student: Is it really impossible?

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 2,467 9 View

I want to know if the binding of drug can actually affect p-p docking?

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 7,741 1 View