How can I set grid box parameters in AutoDock Vina?

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Why is electronic energy 0.000 for liquid crystal compounds and is invariable with temperature in Guassian 09 software?

Are there any suggestions or insights you can provide to help address this problem

06 August 2024 1,443 2 View

Why Powder XRD is performed after cruhsing a crystal if Single Crystal XRD analysis of the same crystal has been performed already ?

What information we can get from PXRD analysis other than from SCXRD analysis of a crystal ?

30 July 2024 6,261 4 View

Provide a questionnaire for positive role of politics in nursing ?

I want to write article in a topic of positive role of politics in nursing, and I'm confused how can we add add questionnaire and what will be the questionnaires.

18 July 2024 10,021 3 View

How to calculate theoretical Ki from the docking results?

I have used Schrödinger (Glide) for docking

13 July 2024 3,003 1 View

Issues in coating of cathode material on Al foil, why we are not getting proper coating and results when the cathode was coated on Al-foil..?

We are trying to coat some cathode materials on Al-foil ( ex - LiFePO4 , S@CNT, etc). When we coated the Al foil with the cathode (ex - S@CNT) material , the cycling result was annoying. But the...

09 July 2024 5,123 4 View

Taking a cut line through deck build in silvaco?

Hi everyone hope your all doing good. I’ve been looping my scripts and am trying to take a cut line of the conduction band energy with respect to y for each loop. Basically, I want to take a...

03 July 2024 9,134 1 View

My hippocampal mouse primary neurons clump when I plate them on microfluidic devices for axonal isolation. Any tip?

Hi all, I am working on both primary hippocampal mouse neurons and i3Neurons to isolate axonal material. I plate them in microfluidic devices in house made (like any other you can find on the...

01 July 2024 8,070 0 View

Please, what are the recent/top/free software for predicting data from MALDI-TOF that you have tried?

Please, can the fragmentation obtained from the mass spectrometry be predicted more easily using any free software? Kindly recommend it, thanks.

01 July 2024 5,327 6 View

Can we use MTCMOS instead of CMOS for designing SRAM Latch ?

Basically CMOS are used for designing the SRAM cells . How the functionality will differ if we use Multi threshold CMOS instead of CMOS generally MTcmos decrease the leakage power but it will...

28 June 2024 9,845 0 View

How to synthesize Dichloro(p-cymene)ruthenium(II) dimer in a good yield?

Suggest some procedure where i can synthesize [Ru(p-cymene)Cl2]2 in a good yield.

23 June 2024 9,244 2 View

GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 View

Why does my protein refolded to beta sheet during thermal denaturation analysis?

Hi! So i attempted to understand a novel protein behavior towards heat application by analyzing its secondary structure change. I subjected the protein to a thermal denaturation analysis using...

06 August 2024 1,989 3 View

Why don't d-orbitals split themselves, why does it take a ligand? why don't protons from ligand repel nucleus split d-orbitals?

why don't d-orbitals split themselves because of themselves without the presence of ligands? Electrons are indistinguishable. Why wouldn't it be more correct that protons from a ligand split the...

03 August 2024 3,589 3 View

Why doesn't chromium 2+ ion use all its d-orbitals to receive lone pairs from six waters in [Cr(H20)6)]3+?

I'm guessing it's because the ligand experiences too much electron repulsion or proton repulsion from the chromium to insert them close to the 3d-orbitals which are close to the metal nucleus. Is...

03 August 2024 1,370 1 View

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View

Transfection in HEK293T cells?

Dear All, I am trying to transfect a pCDNA3.1 vector containing my gene of interest. The purpose is to figure out the localization of the protein of interest. I have fused the protein with GFP on...

31 July 2024 9,892 4 View

How can you draw a coordinate bond between a metal and donor atom in metal complexes, using discovery studio visulizer software?

Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer

30 July 2024 3,354 1 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

How to retain the a GFP tagged gene expression in stable cell line?

Hello , I established a stable cell line expressing GFP tagged to a centrosomal gene having G418 drug selection marker. I validated the stable line by IFA and Western blotting, results are fine....

29 July 2024 5,007 0 View

I am working on my Master's thesis on the biogeography of the genus Ruagea and I would like to ask, could someone help me to check whether my result?

I created a file with my outgroup and ingroup species using Beauti, ran it in BEAST, viewed it in Tracer, and then used TreeAnnotator to create a file that I imported into RASP. Could someone...

28 July 2024 2,979 1 View

Mohamad Akbari

Use my answer at :

https://www.researchgate.net/post/How_to_do_docking_in_AutoDock_step_by_step/1

Mayank Agarwal

thanks akbari for reply....

Rajesh Kumar Pathak

This can be very useful

http://vina.scripps.edu/tutorial.html

LigPlot is very useful tool for analysis and visualization of protein-protein as well as protein-ligand complex

http://www.ebi.ac.uk/thornton-srv/software/LigPlus/