3 Questions 77 Answers 0 Followers
Questions related from Anu Manhas
I want to know the use of solute dielectric constant in MM-PBSA calculations of the protein-ligand complex and what is the criteria of selecting pdie value for a particular system. Though the...
01 March 2019 9,606 1 View
What should be the appropriate time of simulation run and the criteria for the selection of time interval in order to extract the trajectory for the construction of molecular dynamics based...
04 January 2017 7,816 9 View
How to decide which ensemble (NVE, NPT or NVT) is suitable for Molecular Dynamic simulations of Protein-Ligand complex and is it necessary to go through NVT ensemble before moving on to NPT...
20 October 2016 5,595 6 View
