Is there anyone available to perform molecular dynamics (MD) for three analogues?

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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 convert g/kg Humic acid dose to kg/ha?

I used humic acid at 0.044 g/kg soil in my pot experiment. But finally, I have to recommend kg/ha. Each pot's soil weight was 11 kg. What is the solution?

02 August 2024 7,186 6 View

Bangladesh government's reported plan to use lethal force against protesters? We need help Urgently ?

Please Help Us Urgently

01 August 2024 711 1 View

"How has Leader Sheikh Hasina's government allegedly responded to student protests, including the reported killing of over 500 students ?

"How has Leader Sheikh Hasina's government allegedly responded to student protests, including the reported killing of over 500 students, as well as arrests, custody, remand, and the involvement of...

29 July 2024 2,181 7 View

Can a photocatalytic degradation of methylene blue from red mud be pseudo- zero order kinetics?

My photocatalyst from solid waste red med. Dye is methylene blue My all parameter study is showing zero order. How to prove it further that the reaction in zero order?

29 July 2024 7,404 1 View

How to calculate pseudo order kinetics?

I know the rate law. But for my photo-catalytic experiments, first 90min is adsorption (dark) and next 150min is under UV light (total 240min). How to remove the adsorption part for calculation?...

21 July 2024 8,807 6 View

How to transfect circular mRNA to T cells?

Hello! We are using LNP to deliver circular mRNA into T cells. However, compared with linear mRNA, the transfection efficiency and protein expression duration are similar. Are LNP generation or...

21 July 2024 4,322 1 View

How can I calculate spin texture using Quantum Espresso for non-colinear case ?

I want to calculate the spin texture for the electronic band structure obtained from SOC calculation. Is there any way for calculation of spin texture using quantum espresso??

19 July 2024 8,571 1 View

How is surfactant addition calculated?

I want to make 100 ml of MWCNT/distilled water mixture at a volume fraction of % 0.1. MWCNT density is 2100 kg/m3. I will add gum arabic as surfactant. If I add surfactant at a 1:1 ratio, will the...

19 July 2024 8,494 0 View

What is the average energy consumption per gate operation with superconducting qubit?

Could you provide information on the average energy consumption per gate operation when using superconducting qubits, specifically focusing on the microwave power required to implement gates? I...

15 July 2024 954 0 View

Are there instances where molecules with larger molecular weights exhibit greater mobility than those with smaller molecular weights?

Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...

06 August 2024 1,495 2 View

Is it legal to upload a graphical abstract previously published on your paper's first page to a website such as figshare.com under CC-BY-4.0 license?

Dear friends, does anybody know that is it legal to upload a graphical abstract previously published on your paper's first page to a website such as figshare.com under CC-BY-4.0 license? Thanks.

05 August 2024 7,098 3 View

For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

05 August 2024 7,727 4 View

How to start a Molecular Dynamics Simulation?

Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...

03 August 2024 3,371 3 View

Which will be the best software for the Hydration shell analysis with molecular dynamics?

I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?

02 August 2024 3,143 4 View

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View

Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out?

Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...

31 July 2024 781 1 View

The use of data from PubChem for commercial purposes?

Hi, I'm curious to know if data on chemical compounds from PubChem, such as water solubility properties, can be used to train a machine learning model for commercial purposes. Will this infringe...

30 July 2024 8,707 1 View

CAD File of human's & rat's respiratory airways ?

Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...

29 July 2024 1,092 2 View

How to restart MD without using checkpint file in GROMACS?

Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar

29 July 2024 3,084 8 View