How do I prepare a ligand which has more than 32 rotatable bonds, with auto vina??

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Can we mark 'EFL Learners shifting from general digital to AI technologies' as technological transition?

After COVID-19 it has seen that EFL learners technological affiliation has raised. In addition, in the post-COVID period learners started to engage AI technologies like ChatGPT while learning...

08 August 2024 8,964 4 View

How to generate a citation of my paper from ResearchGate?

How we can cite the papers from ResearchGate. I am trying to create citations for this article, Quantum Machine Learning Algorithms for Optimization Problems: Theory, Implementation, and...

08 August 2024 6,690 3 View

Does Anyone have expertise in in vitro transcription and RNA pull down assay?

I am currently working on LncRNA; to know the lncRNA-protein interactions I want to do RNA pull down assay, so I need to design primers with T7 promoter. I need assistance in this regard.

07 August 2024 6,622 1 View

How to fix background error in rietveld refinement of one XRD peak using GSAS-II?

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05 August 2024 5,291 2 View

How can I add own Henry coefficients in Aspen Plus?

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05 August 2024 2,333 2 View

Why might the impedance values for DI water and 0.1X PBS buffer solution exhibit a decreasing and increasing trend, respectively over time (HP 4194A)?

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05 August 2024 3,783 2 View

Can usage of AI tools like chat GPT in research work is recommendable ?

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05 August 2024 1,842 3 View

Usage of internal standards in LC-MS/MS analysis?

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05 August 2024 3,084 6 View

ANY free software for reconstructing neurons in the microscopic image?

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04 August 2024 4,725 2 View

How effective is the Citi Bloc standard basket in enhancing the accuracy and comparability of international construction cost assessments?

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04 August 2024 8,997 1 View

What is the reason for current dropping in OER , LSV curve?

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10 August 2024 3,629 1 View

Adhesion strength of coating?

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10 August 2024 942 3 View

How to increase simulation box size?

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Should I include H atom into C3N5 when i am doing DFT modelling?

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07 August 2024 8,414 2 View

How to heat polymer for about 130° without oil bath ?

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06 August 2024 947 1 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?

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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+?

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03 August 2024 1,370 1 View

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

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30 July 2024 3,354 1 View

How to explain the different interaction between soluble and insoluble polymer in water?

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29 July 2024 6,350 3 View

Why is it not common to see similar pairs in polymer sliding pairs?

If the pairs are similar, will it reduce the adhesion due to electric charges?

29 July 2024 3,185 2 View

Riaz A. Khan

Did you check the instruction manual of the software, if that's feasible you will get some info. Check through keywords within it, monomer, polymer, rotatable bond(s), ligands, etc.

Emilio Mateev

You could try the Chem3D MM2 minimization simulation with early termination. Considering the size of your ligand, it might take some time, however i assume that approx. 10000 iterations will do.