Can we calculate binding constant for complexes having Ligand and metal in 3: 1 ratio using Benesi Hildebrand equation?

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Is there any published or unpublished statistics on dropout rate (Dose1 to Dose-2) for Covid-19 vaccination in India, US, UK or any other country?

Are there any published or unpublished statistics or papers on the dropout rate (Dose1 to Dose-2) for Covid-19 vaccination in India, USA, UK, or any other country where vaccination has started at...

28 February 2021 4,237 1 View

CUDA Out Of Memory (OOM) error while using GPU?

I'm training a neural network (E3D-LSTM) for spatio temporal video prediction. It's quite a big network that has millions of parameters. The model is training perfectly when using my 12 CPU cores,...

25 December 2020 1,229 3 View

Which area i should focused in FSW of Al-Steel with interlayer?

Can anyone give me suggestion about topic to carry my research? As i see there is number of publication in this area.so i am not getting that which objective i should keep for my research.

04 September 2020 2,286 2 View

Comsol electromagnetic simulation. How to give a mesh for certain micrometer when my tool is in millimeter. The current density is so small. Pls help?

Hi, I am trying to perform mesh convergence and I found out there is no stable temperature value I obtained. So, I calculated the skin depth and it was around 0.00011mm. It is so small in...

24 August 2020 9,060 2 View

Which option (SFA-Cross Or DEA-DMU) is best to measure the individual efficiency (for a sample size of 450 farmers)?

I am working on a set of data, collected from a field survey. I am looking forward to measure the the level of technical efficiency of type of irrigation channels (Solar pump set/ Diesel pump set...

06 August 2020 2,510 3 View

How to increase accuracy in Speech emotions recognition ?

In speech based emotion recognition, for individual artists almost get 90 percentage of accuracy using neural network, but accuracy is decreased up to 70 percentage for entire speech corpus. How...

19 July 2020 4,900 1 View

What are the different methods of estimating snow melt contribution in runoff?

I want to estimate the runoff due to rainfall but the data I have, contains final runoff (i.e. runoff + snowmelt) so is there any method to calculate the contribution of snowmelt in the final...

16 July 2020 6,415 3 View

How to model in COMSOL (Induction heating) . A current applied for 600A for 10 min and continue then 100A for next 5 min. Can someone help me please?

Hi I wanted to model Induction heating in comsol. Apply a current of 600A for 10 minutes in my coil and then a 100A current for 5 minutes. I could not find much of tutorials. I do not know where...

10 April 2020 5,565 12 View

I'm having a hard time to get the UV-vis spectra of acetone. What may be the reason?

I'm getting a weird UV spectra for pure acetone. The analysis were performed on Shimadzu UV-vis spectrophotometer however the graphs weren't good with noise patterns as seen on the image. Any help...

11 November 2019 9,477 5 View

Thermal topology optimization run ends with error due to memory. How to swap memory?

Hello. I had a run error *7007* that the allocated memory is 17,500 Mb but the run for the model required 18,400 Mb. When i check my directory file, there is more memory around 1TB and the system...

06 November 2019 8,994 3 View

How to simultaneously perform multiple biochemical assays?

I am a research scholar working on heavy metal stress on plants. I will be doing biochemical characterisation( protein, carbohydrate, proline, antioxidant enzymes and many more assays) at interval...

01 March 2021 6,999 3 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

Why is NH4OH added in heavy metals limit test?

The limit test I'm referring to is USP method II. In this procedure you need to dropwise add 6N of NH4OH to the sample until it the pH is alkali. After that you need to dilute and add HOAc until...

23 February 2021 2,049 3 View

Is this the write procedure for acid digestion of soil for heavy metal analysis using AAS?

How to do acid digestion of soil sample with 3:1 aquaregia in an open vessel?

23 February 2021 3,053 7 View

I want to simulate a system containing protein and heavy metals; which force field is most reliable for this purpose?

The protein I want to simulate has multiple heavy metals. I wanted to know which force-field I should use with GROMACS to achieve this. Most importantly, do the latest updates in the force-field...

16 February 2021 2,420 1 View

How long does it take to design and validate transition state analogue inhibitors?

Hi, I'm asking from the point of view of designing a research plan: How long (approximately) can it take to determine the transition state structure of an enzyme substrate using kinetic isotope...

14 February 2021 2,610 1 View

What can be use to mop up heavy metals from vegetables or soils in quarry mining site?

It has been established that quarry mining site polluted and contaminated it's environment with heavy metals, these affects the crops and vegetables planted in the area. The possible solutions to...

12 February 2021 1,155 5 View

How to check if the PMF profile obtained from ABF simulation is correct?

I am doing ABF simulations to calculate ligand binding enegy. The PMF profile that I get using single long ABF simulation is attached as pmf_total.png. When I do this ABF calculation with 10...

10 February 2021 4,170 2 View

Ligands with 3,4,5-trihydroxyphenyl group?

Hi In the design of a bidentate ligand with imine group, is it okay to have a 3,4,5-trihydroxyphenyl group in the structure? In other words, does the 3,4,5-trihydroxyphenyl group compete with...

08 February 2021 4,977 7 View

Please how can i write a proposal on the methodolgies of AAS to determine heavy metalsin water?

Please I want to write a proposal on the methodologies of AAS to determine heavy metals in water. please any link can help.

08 February 2021 3,587 7 View