Sangita Kachhap

5 Questions 34 Answers 0 Followers

Questions related from Sangita Kachhap

Among NVT and NPT ensemble which one is preferable during MD simulation?

NVT and NPT are two commonly used ensemble during MD simulation of biomolecules. NPT must be used during equilibration just before changing to constant volume ensemble. So during production run...

07 July 2014 8,431 30 View

How to make double stranded DNA from a single strand?

I have a PDB of protein - DNA complex but this PDB only has single stranded DNA and I want double stranded DNA. So, is it possible to generate double stranded DNA from single stranded DNA of a...

01 January 2013 6,070 2 View

DNA minor grooove calculation by Curve+

I am analyzing DNA minor groove width using Curve+. Can anyone please help me to know how it calculate DNA minor groove width.

01 January 2013 9,697 7 View

How to insert a mutation into a protein dimer?

I have a dimer protein and I have to insert three amino acid residues in both monomers of the dimer at the same position. So, can anybody please suggest how to conduct this procedure without...

12 December 2012 7,885 7 View

Water asisted enzymatic substrate reduction-dehydration?

Hi, I am studying a enzymatic substrate reduction-dehydration reaction using DFT. Small model is generated from clustering of MD simulation trajectory. In small model there is a water (water-1)...

01 January 1970 646 6 View