How to do ADMET profiling for macromolecular protein inhibitors?

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Does there exist any empirical evidence of government expenditure financed by money collected through lobbying?

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How to determine method detection limit in an analytical method?

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RNA isolation from plant roots infected with both bacteria and fungi. How to isolate RNA from all of them simultaneously?

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Are there any suggestions or insights you can provide to help address this convergence failure in my optimization process?

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10 March 2024 4,737 0 View

Does the dipole moment of a molecule correlate with its hyperpolarizability and polarizability?

implying that a molecule with a lower dipole moment exhibits lower hyperpolarizability and polarizability compared to one with a higher dipole moment?

07 March 2024 572 2 View

What is the script for running protein cluster by using DBSCAN?

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03 March 2024 6,414 0 View

How can I effectively analyze my data using multinomial logistic regression in SPSS?

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Why is my IS high in plasma when measured in GCMS?

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What are the key considerations and steps involved in the simple centrifugation method for isolating lymphocytes?

What are the key considerations and steps involved in the simple centrifugation method for isolating lymphocytes withou using ready to use lymphocytes seperating medium?

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How to increase simulation box size?

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Unusual intensity drop in some sections of chromatograms in DDA?

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How to analyze multiple phosphorilation sites?

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Recovery rate after peptide desalting using Sep-pack C18 1 cc Vac Cartridge?

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Can i use the protease inhibitors during cell membrane vesicle preparation ？?

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30 July 2024 7,077 1 View

Is it possible to conjugate an NHS ester to the N-terminus of a peptide ON RESIN?

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Does sucrose interfere with the BCA reagent in peptide concentration assays?

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How do you determine the Ki of an inhibitor for an enzyme which also undergoes substrate inhibition?

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08 July 2024 4,988 1 View

I found trouble to run MD of my peptide with PTM in different force field. In Charm-GUI, it cant recognize the engineering residue. What can I do now?

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Riaz A. Khan

That's quite a big size. Check Accelrys/Discovery Studio/Cambridge Soft/ACD.

Subhoja Chakraborty

Thank you Riyaz

Ivana Jevtic

Some free of charge for non-commercial use software that you can try:

https://www.organic-chemistry.org/prog/peo/

http://molsoft.com/mprop/

DataWarrior

Best of luck

Thank you Ivana