10 Questions 15 Answers 0 Followers
Questions related from Arunima Verma
Here, a ligand search is done to get the CGENFF force field for serotonin. But the atom type is mismatched.
21 May 2024 8,961 2 View
So if I want to know what the structures are for different regions in the 2D projection plot of PCA analysis, how would I proceed? Any idea?
15 February 2024 5,285 2 View
Here how means the theory or algorithm behind performing mutation in software ? OR In silico what exactly is happening here (lets say LEU is mutated to ALA) ?
25 August 2023 5,488 4 View
source ------https://rashmikumari.github.io/g_mmpbsa/single_protein_ligand_energy_contributions.html
13 June 2023 2,217 1 View
Let us say binding free energy is -80, then + 130 kJ/mol error bar. So how far is it correct?
03 June 2023 5,458 5 View
How to take the system for MM-PBSA calculation? DNA with one protein or DNA with both proteins simultaneously? Suggestions for different suitable free energy methods are appreciated.
09 May 2023 1,820 3 View
I tried to run the python script in a tutorial of PyLipID, but the script is not working.
05 November 2022 8,735 0 View
Binding free energy has been done by using MM/PBSA method. Energy Values are approximated.
04 September 2022 1,393 8 View
MM/PBSA is done for protein in the membrane system. Can anyone please suggest something?
10 June 2022 2,481 1 View
http://rashmikumari.github.io/g_mmpbsa/single_protein_ligand_binding_energy.html
24 February 2022 3,920 4 View