What does exhaustiveness and energy range mean in autodock vina?

More Nazmussakib Shuvo's questions See All

Effects of Microplastics on mangroves plants and how mangrove plants consume microplastics?

Effect of Microplastics on the Germination and Growth of Mangrove Plants

17 September 2023 9,376 0 View

Need comprehensive analysis on Homeless people ?

comprehensive analysis on homeless people: Like slumdwellers, street dwellers

02 September 2023 8,376 4 View

What volume of stock would you use?

You are carrying out virus infections. Your stock contains 5 x1010 pfu/ml. What volume of this stock would you use to infect a tissue culture flask containing 2 x107 cells at an multiplicity of...

03 January 2023 7,324 2 View

Is there any example of UDF available regarding this formula for near wall correction?

Hello.. I have to add this correction for near wall treatment in Ansys Fluent. I am not finding any example. Can anyone help? Thanks in advance.

02 September 2022 6,152 0 View

Is this RMSD value of protein good for molecular docking?

I have work with a protein and i made a homology model of the protein with swiss-model. I do all the thing which are required for docking then i only run the protein 100ns MD simulation. I got...

30 August 2021 900 10 View

How do I analyze the galaxy refined result?

I have worked with a protein and i got a model from swiss model. Then i refine the structure with Galaxy web. I got a result (attached). would anyone like to describe the analyze result Such as...

27 August 2021 8,730 0 View

How to deal with the Log10 transformation when the quantitative outcome is 0?

In bacterial counts, sometimes for the specific bacterial count, such as Enterobactericeace/ Staph. aureus count from milk samples, the count number is null/Zero for some samples. Then what we can...

26 August 2021 1,001 2 View

Can anyone suggest me free software or server like auto dock vina by which i can do molecular docking?

I can do docking with autodock vina. But it shows me several answer of same thing in several time. So, i am looking for some other free software or link by which i can make docking. Thanks in...

17 August 2021 3,761 19 View

Can anyone help me to solve problem in homology modelling by modeller?

Can anyone help me to solve the problem? it is occured at the time of alignment in homology modelling by modeller. It shows the information that i am given below. 'import site' failed; use -v for...

28 July 2021 8,848 5 View

How can I generate mnolayer graphine from graphite crystal in material studio?

I am trying to reproduce a paper titled-"Adsorption of the water molecule on monolayer graphene surface" and for that purpose I am using castep tool from material studio software.I have created a...

17 May 2020 6,706 0 View

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View

How to add Cr parameter in autodock?

When I run autogrid4 it says: autogrid4: ERROR: Unknown receptor type: "Cr" -- Add parameters for it to the parameter library first! Look forward to your reply.Thank you so much!

29 July 2024 488 0 View

AutoGrid and Autodock 4.2.6 window opens for 1 second then closes and there is no output files?

Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...

28 July 2024 2,136 4 View

Is it possible to dock more than one drug in the same active site or pocket of a protein to study synergistic/antagonistic/additive properties?

I wanted to know whether we can observe the synergistic/antagonistic/additive properties of combinations or mixtures of compounds through docking analysis. But during docking preparation any...

28 July 2024 7,413 6 View

Can you visualize platelets using EVOS ?

Hi all, My lab has Thermo Scientific™ Invitrogen™ EVOS™ FL Auto 2 Imaging System, and I was wondering if I will be able to use it with whole blood, whilst focusing on platelets? The idea would...

24 July 2024 9,337 3 View

What is the main factor involve in higher binding score performing molecular docking?

A molecule shows the -11.6 kcal/mol and second one -8.0 kcal/mol so why molecule (A) revealed higher binding score. Please explain major factor involve in it.

21 July 2024 954 5 View

In silico can we join two ligands for docking....?

I have performed docking of proteins with two ligands, both ligands show affinity. I want to check the effect if we join both ligands and perform docking

20 July 2024 2,653 2 View

How to extract binding energy from pv.maegz file without using Schrodinger?

I have conducted virtual screening using Schrödinger on a database of 17,000 molecules. Unfortunately, I cannot use the system with the Schrödinger license at the moment. I am trying to find a way...

18 July 2024 2,881 4 View

How to calculate theoretical Ki from the docking results?

I have used Schrödinger (Glide) for docking

13 July 2024 3,003 1 View

Why Cl atom is not showing in docked comlex of molecule?

During the preparation of a ligand molecule in autodock or openbabel Cl atom is not showing in the .pdbqt file whereas it was present in the pdb and sdf file. Due to this Cl atom is not showing in...

13 July 2024 3,486 6 View