List of software to study the interface of two phases of an alloy

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Why Cl atom is not showing in docked comlex of molecule?

During the preparation of a ligand molecule in autodock or openbabel Cl atom is not showing in the .pdbqt file whereas it was present in the pdb and sdf file. Due to this Cl atom is not showing in...

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How can I verify if an academic journal is a legitimate publication or a cloned version?

This question seeks to address the growing concern of cloned academic journals, which are fraudulent duplicates of legitimate publications. It aims to guide researchers, scholars, and academics on...

10 July 2024 5,966 2 View

Can you suggest any software to draw shadow mask pattern for lithography?

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22 May 2024 9,449 3 View

Anyone have crack version of casaXPS for macbook?

I need a cracked version of origin pro and casaXPS for MacBook AIR M1

12 May 2024 7,259 0 View

How is to find the correct bandgap from a Tauc plot having 2 humps extracted from a UV absorption data ?

In order to find the band gap, I plotted a tauc plot of a UV absorption data. The Tauc plot contains two slopes as shown in the figure. Kindly tell me how to obtain the correct optical band gap...

12 May 2024 5,449 3 View

Can we use panel ARDL model with dummy if we have T=20 and N=8, given the condition that DV is I(0) and IV are mix of I(1) and I(0)?

Can we use panel ARDL model with dummy if we have T=20 and N=8, given the condition that DV is I(0) and IV are mix of I(1) and I(0)...

07 May 2024 943 0 View

Require single protocol for mice brain (hippocampus) homogenization for ELISA, GSH, and NO assay?

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15 April 2024 8,423 0 View

Can the concentration of sodium be higher than chloride in groundwater?

I have analyzed groundwater of the middle indo-gangetic plain and detected the Na ion concentration (90 mg/L) and Cl ion (1.7 mg/L). Is it possible?

12 April 2024 3,452 6 View

How to Solve Inaccurate quadrature in CalDSu. errors in Gaussian?

in optimization process its showing for carbohydrates computational studies. How to Solve Inaccurate quadrature in CalDSu. errors in Gaussian?

05 April 2024 1,389 1 View

Does the DNS method for the analysis of reducing sugars shows the UV-Abs shift at 370 ?

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Which Scopus Journal provides the most affordable fees?

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GC-MS retention index prediticon?

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08 August 2024 7,403 2 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

Could you please suggest methods to compare free protein and immobolized protein binding properties?

I have an antibody binding generic protein and I need to compare its activity in a free and immobolized form. I understand that there are a number of methods to determine Kd value of a free...

05 August 2024 5,311 0 View

What are the shear and normal stiffness values of an LLDPE liner in 3D numerical modeling of a stockpile?

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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.

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How to start a Molecular Dynamics Simulation?

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03 August 2024 3,371 3 View

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

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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

Where can I find free research instruments for Nursing?

for eg. transition shock scale

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Ankit Gupta

Quantum Espresso, ABINIT, LAMMPS to name few open source codes. All have explanatory tutorials to get started with.

Deepak Kumar Gorai

Thank you...

Bahareh Bamdad

In addition to the LAMMPS, you also can use the DL_POLY code. It is a parallel molecular dynamics simulation code and is free.

Thank you..