Saipul Maulana

8 Questions 6 Answers 0 Followers

Questions related from Saipul Maulana

MMPBSA calculation amber error no module named distutils_hack?

Hello everyone, I am currently facing an issue while attempting to perform MMPBSA calculations. I encounter the following error message: "ModuleNotFoundError: No module named...

22 September 2023 3,129 0 View

MMPBSA molecular dynamics error (core dumped)

The binding free energy in molecular dynamics can be obtained from mmpbsa and could be determine the most stable ligand in molecular dynamics simulation. After running production, i try the mmpbsa...

01 January 1970 10,048 3 View

Where is the place to buy isolated chemical compounds from medicinal plants?

Hi, I'm on research in developing inhibitor of virus enzyme from natural chemical compounds with molecular docking and molecular dynamics. Finally, the result is that there are few chemical...

01 January 1970 5,168 9 View

Decoy for Molecular Docking

I have list smiles of active set target retrieved from bindingdb database, and i want to generate properties matched decoy structures to perform retrospective docking validation. I have tried...

01 January 1970 3,611 6 View

Binding affinity or Binding energy in Autodock vina

In Autodock Vina, parameter of binding energy has been used to determine which ligand that has stable complex interaction with protein (e.g enzyme). And more negative value or lower binding...

01 January 1970 3,448 5 View

Guidelines clinical trial protocol traditional medicine as anti HIV

I'm on research in clinical trials of some traditional medicine as anti HIV. Based on pre clinic result, the plant extract was promising as new anti hiv agent in future. I want to assay the...

01 January 1970 282 0 View

Segmentation Fault linmin Error AMBER Molecular Dynamics

I'm on research to discover new protease inhibitor from medicinal plants via virtual screening. And I want to analyze the molecular dynamics with AMBER, but when i minimizing the ligand and...

01 January 1970 302 6 View

Coarse grained molecular dynamics

How to perform coarse-grained molecular dynamics simulations to observe the self-assembly formation of micelles that consisted of tween and span also containing drug candidates in a solvent like...

01 January 1970 5,990 0 View