5 Questions 152 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 9,673 1 View
Could anybody suggest me some online database where we can search for the bioactive compounds against a particular target? I have tried ChEMBL, but I was not able to download all the files...
13 May 2017 4,850 7 View
For the receptor-based pharmacophore generation, we generate hypothesis by utilizing the protein-ligand complex. However, if the ligand is forming a bond with the cofactor, then is it important to...
14 March 2017 3,183 6 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 7,879 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 5,653 6 View
