How to save rigid_receptor, flexible_receptor and ligand in one pdb file?

More Garima Tanwar's questions See All

How do I write a single author review article and where to publish it?

I am interested in writing a review article but don't know where to start. Any advice would be welcome.

10 June 2024 5,515 1 View

How to add new papers?

17 March 2024 2,330 1 View

InderScience submission Help?

In the InderScience submission, I need the names and details of 4 international experts (I am from India, so at least 2 must be from outside country) I am trying to submit an article that is based...

11 March 2024 9,402 0 View

From where can I obtain 5beta-pregnane-3,20-dione standard for HPLC?

Can anyone please suggest how can I procure 5beta-pregnane-3,20-dione standard? I have been searching different companies, mostly I have found the 5alpha form of the same chemical. I am currently...

19 November 2023 4,085 2 View

When people don't own Mercedes car or BMW car then why do they buy merchandize (eg: t-shirts, keychains) of these brands??

Many luxury brands in automobile sector offer their merchandize and many people buy them. What motivates these consumers? Is it just the brand association ?

17 August 2023 7,167 1 View

Why i am getting no recovery of chitin from fungal biomass?

I get good amount of fungal biomass in submerged fermentation but no chitosan get extracted after completing the extraction process using NaOH treatment. Please help

03 August 2023 3,952 1 View

Can i use ammonium persulphate or ammonium ferrous sulphate for protein precipitation?

as we normally use ammonium sulphate for the same

14 July 2023 4,607 3 View

How to conduct self discharge test for supercapacitor with/without Potentiostat?

A gel polymer based supercapacitor device is fabricated and need a testing for self discharge. I am using CHI instrument for the electrochemical characterization. Also, the leakage current and...

31 May 2023 8,912 1 View

How to calculate transference number for gel polymer electrolytes?

Also, the transference number and transport number are same or different? If they are different then how to calculate them for cations and anions?

31 May 2023 3,753 1 View

How can we determine hydrogen bond strength using FTIR data? We have seen researchers using MHBS calculations? Is it accurate?

MHBS should be a unitless quantity?

28 May 2023 9,262 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

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

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

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 determine LOD values?

I am performing fluorescence experiments using a ligand to detect metal ions. I want to determine the Lowest Detection Limit (LOD) using the formula LOD = 3σ / K. However, I'm uncertain about...

19 July 2024 1,086 1 View