Can I use molecular dynamics simulations of friction stir welding?

More Pragya Nandan Banjare's questions See All

Which is more preferred method for the screening of phytochemicals of a plant sample, aqueous or any organic solvents ?

I have tried to screen various phytochemicals of different plants leaves sample with antimicrobial property. I have tried aqueous extract of plants. But i have doubt whether sample is actually...

18 June 2024 8,947 4 View

In the mentioned image, what is the shiny particle? Is it also a microplastic particle?

Dear all, This is a microplastic image from the fish gut, and I am having difficulty identifying this shiny particle. I am guessing it may be a film particle. If someone knows, please guide...

27 May 2024 5,773 3 View

Which method is preferrable for phytochemical extraction from a medicinal plant like Artemisia ?

I am using plant extracts to study their phytoconstituents showing antimicrobial activity.

09 April 2024 4,914 8 View

How to measure microplastic particle size under the microscope ?

Hello everyone I am a little confused about how to measure the microplastic particle size, I clicked the picture of microplastic, now would I need any specific software for that? kindly give me...

13 March 2024 2,801 4 View

Suggestions to improve a manuscript on Bibliometric Analysis?

Hi. I had written a manuscript on Bibliometric Analysis related to oral cancer last year. Since then I had sent it to multiple journals only to get rejected. I request you all to please give me...

04 March 2024 2,924 5 View

What should be the pore size of silica gel sheet for carrying out TLC on plant extract ?

I have to carry TLC to identify compounds in plant extract

25 July 2023 1,381 2 View

How to further process plant extract DMSO solution for identification of phytochemical compounds ?

I have prepared plant extract in methanol and ethanol and have preserved in DMSO solution

11 July 2023 3,773 1 View

Anyone having excel sheets for data analysis?

Hello everyone I am in an urgent requirement of excel sheet for data analysis. My experimental design is factorial RBD with single extra control. First factor has two levels and second factor has...

09 July 2023 5,725 5 View

How to optimization a small molecule with a high penalty score obtained from CGenff?

Hi all, Please suggest how I need to optimize a small molecule to generate the topology file for the ligand to process it for Protein-Ligand MD simulations. I have tried to balance the valency of...

11 March 2023 7,041 9 View

Standard range of serum ALP in Wistar rat?

Can anyone help me to find the exact standard range of ALP (IU/L) in Wistar rats?

09 January 2023 4,678 3 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

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

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

AutoGrid and Autodock 4.2.6 window opens for 1 second then closes and there is no output files?

Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...

28 July 2024 2,136 4 View

How to prepare a molecule for molecular dynamics calculations?

If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...

28 July 2024 673 3 View

Rafik Karaman

Dear Pragya,

Yes you can. For more details, please use the following links:

http://www.mpa.uni-stuttgart.de/organisation/fb_3/abt_31/index.en.html

http://www.programmaster.org/PM/PM.nsf/ApprovedAbstracts/BA7CA059C468789B852579C6005A3383?OpenDocument

http://www.ipme.ru/ipme/conf/APM2014/2014-PDF/2014-010.pdf

See attached file.

http://www.nps.edu/Academics/Centers/CMR/Research/NewMaterial.html

Hoping this will be helpful,

Rafik

Here is the attachment.

Pragya Nandan Banjare

Thank you very much sir