How to perform Molecular dynamics (MD) simulation for corrosion system ?

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How to extract binding energy from pv.maegz file without using Schrodinger?

I have conducted virtual screening using Schrödinger on a database of 17,000 molecules. Unfortunately, I cannot use the system with the Schrödinger license at the moment. I am trying to find a way...

18 July 2024 2,881 4 View

Experience Sampling Method (ESM) Solutions for Real-Time Voice Data Collection?

Hi Everyone, I am working on a research project focused on analyzing behavior and cognition in different environments and situations. I am looking for a solution that allows us to: Record...

29 June 2024 6,540 0 View

My material is AlSi10Mg made by Selective laser melting. Why i am facing difficulty in EBSD?

1. Which phase should I select during EBSD? 2. Attached image is the polished surface but in your opinion what is on the surface of sample? it is oxide or colloidal? 3. Diamond polishing by paste...

27 June 2024 5,248 2 View

Why I am facing difficulty in EBSD of AlSi10Mg (made by selective laser melting)?

I had polished my sample till 3000 grade manually then done diamond polishing by 3 micron, 1 micron and 1/4 micron (By Diamond paste and aerosol). After that I had done colloidal polishing by 0.04...

19 June 2024 5,343 3 View

Which is better publication, a conference paper or journal publication?

For beginner researcher, authors are confused to submit a paper on conference or journal publication in the majority times. I would like to give insight opinions from it.

11 June 2024 6,602 13 View

Any Technical (Recent trends in Wireless Communications) Conference in Australia between 14-21 September 2024?

Dear Professors, If any one know about the technical conference in Australia between 14-21 September 2024, Please let me know. Thanking you in advance.

09 June 2024 3,867 1 View

How to see microstructure of AlSi10Mg sample made by Selective Laser Melting?

I have used Keller's reagent till now but I am not able to see silicon network in SEM. I am also facing problem in etching. Some times I can see the microstructure in Optical Microscope but not...

13 March 2024 9,866 1 View

What are various Secondary Data Methods and Secondary Data Sources?

Please mention the some secondary data methods.

10 January 2024 2,305 3 View

What is the P53 status of the colorectal adenocarcinoma cell line HCT116?

I am looking for TP53 status of various carcinoma cell line from DepMap portal (https://depmap.org/portal/gene/TP53?tab=characterization&characterization=mutation), but could not get the P53...

03 January 2024 1,643 0 View

How will interpret the EDX result peaks?

I did EDX for my nanoparticle samples. It contain peak for Cl, C, Na, O and Ag . What is the meaning of this peaks. Where does the other elements come from? Kindly provide the interpretation...

10 November 2023 7,180 3 View

I have get this error when i calculated the geometrical optimization for prco3, it takes 12 hours until gives this message in the outputfile?

Fatal error in MPI_Allreduce: Other MPI error, error stack: MPI_Allreduce(1628)......: MPI_Allreduce(sbuf=000002459254A180, rbuf=000002459F86A140, count=4851, MPI_DOUBLE_COMPLEX, MPI_SUM,...

09 August 2024 7,615 1 View

What is the prepared reference material that can be used in inductively coupled plasma optical emission spectrometry (ICP-OES) to measure REE and U ?

What is the prepared reference material that can be used in the ICPE-9820 Shimadzu Japan instrument, which employs inductively coupled plasma optical emission spectrometry (ICP-OES) to measure...

06 August 2024 1,896 1 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 effective is the Citi Bloc standard basket in enhancing the accuracy and comparability of international construction cost assessments?

Citi BLOC Standard Basket Definitions: A standardized unit representing a fixed basket of construction materials, labor, and equipment costs priced in various cities. Purpose: To create a common...

04 August 2024 8,997 1 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

How to select target material for X-Ray generation?

Generally, the target material is Mo, Co, Cu, Fe, Cr, etc, so on what basis should we choose this material?

31 July 2024 5,824 0 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