Which tool can I use for pKa prediction and protonation state of Cyclodextrin?

03 September 2023 0 2K Report

I wanted to find out if Epik can be used to predict the pKa and protonation state of drug-like molecules like cyclodextrin if not could you please recommend me any tool or server that can help me achieve this for my research?

Thank you very much.

Badges
Science topic

More Chardi Shahiya's questions See All

Do you think can be any Uranium bearing rocks in Eastern part of Iran and western part of Afghanistan?

I want to know more about Uranium ore deposits in world.

11 August 2024 6,720 0 View

Do you think can be any diamond bearing rocks in Eastern part of Iran and western part of Afghanistan?

I want to know more about diamond ore deposits in world.

11 August 2024 2,167 1 View

What is the difference between mathematical R^4 space and physical 4D unit space?

We assume that the difference is huge and that it is not possible to compare the two spaces. The R^4 mathematical space considers time as an external controller and the space itself is immobile in...

10 August 2024 6,678 14 View

If Banks do not provide credit facility, what are the options available for FPOs and impact on producer’s income?

10 August 2024 8,198 5 View

Controlling for pupil light reflex when analyzing pupil size time course?

I used eye tracking to examine how participants from two different populations (A and B) react to an image. Participants in population A exhibit larger pupil sizes over time, but they also have...

10 August 2024 3,229 0 View

What are a “Farmers Producer Organization” (FPO) and its essential features?

10 August 2024 477 5 View

Strugglling with m6A dot blot any suugesstion ?

I have been doing the m6A dot blot for a while with no improvement, I am extracting the RNA, and I can see the dots although the three biological replicas give a different reading on the memberan...

10 August 2024 8,539 5 View

Do interactions between biosphere, carbon cycle, & water cycle impact global warming & interaction between atmosphere & hydrosphere?

How do interactions between the biosphere, the carbon cycle, and the water cycle impact global warming and interaction between the atmosphere and the hydrosphere?

09 August 2024 3,291 2 View

How to get moment output in Abaqus Standart?

I have input a moment load in module load Abaqus, i put my moment load on the node surface (using reference point). I have define moment in history output and make a set for moment too. But the...

08 August 2024 4,831 4 View

How is energy cycled through the Earth's climate system and how do matter cycle and energy flow through the rock cycle?

08 August 2024 8,162 0 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

Why aren't most metal oxides insoluble in water?

Why BaO (s) + H2O(l) ---> Ba 2+(aq) + 2 OH - (aq) if Oxygen loves owning all the electrons, why would it bind to hydrogen which competes with Oxygen for electron ownership more so than...

03 August 2024 5,392 1 View

What change would occur in physics if the three different sizes of the proton and the two sizes of the deuteron accepted as new physical constants?

For people today, the enigma of the size of the proton still remains enigmatic. However, being myself a researcher in new physical theory which makes it possible to extend the different standard...

28 July 2024 7,823 1 View

Choosing an appropriate TLD for mixed radiation?

Could you please recommend the appropriate TLD card model for both personal and environmental dosimetry in a high-energy proton accelerator center, specifically for dosimetry of beta, gamma, and...

17 June 2024 1,958 0 View

?How can we study proton radius with a 600keV high luminosity gamma ray ?? mark: gamma ray; proton; ?

Our gg collider will make a high luminosity gamma ray beam: 600keV, 10^9photon/pulse, 50Hz, small emittance angle:2.5mrad. We want to know how can use this gamma beam to study the characteristics...

03 June 2024 6,849 0 View

How is a proton generator made?

How is a proton generator created? Hydrogen seems to be the easiest method, using He gas and an ionized attraction means. But has someone achieved this?

31 May 2024 5,766 0 View

How can I differentiate the -NH group in the backbone and -NH2 group in the side chain of my poly(glutamine) polymer sample?

I have synthesized a poly(glutamine) sample and am currently analyzing it using NMR spectroscopy. I am facing challenges in differentiating the -NH protons from the backbone of the structure and...

12 May 2024 9,656 7 View

Sur la variation du pH en elctroanalyse du tramadol, il est possible d'obtenir une droite avec une pente de -0,00121 mV??

Need help. concerning the electroanalysis of tramadol, by varying the pH, I obtained according to the equation on the right a slope of -0.00121 mv. Is it possible? It is true that at different pHs...

04 May 2024 267 0 View

Polymerisation of Acid chloride?

Hello, I am currently conducting my Bachelor on a organic synthesis. Here, I first form an acid chloride by the addition of thionyl chloride and Dimethylformamide (which together form the...

21 April 2024 2,165 2 View