What is a suitable time step for MD simulation of protein-ligand complexes?

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Is it the domain of tectonophysics or seismotectonics Stress genesis detection and cause and origin?

Prior various seismic events stress accumulation tajkes place .Its symptomatic siganals are displayed in the tectin region by subsurface condison varaion as in Geology Geomorphology ,Thermal...

01 January 2024 6,361 5 View

Tensile test with uniaxial loading - USDFLD subroutine in ABAQUS?

I have Force-Displacement values of a tensile test that undergoes uniaxial loading. Please find attached the stress strain curve of the loading. Sigma1 denotes the Equivalent stress of the...

06 December 2023 8,675 1 View

How does technology dependence affect the development of metacognitive skills in learners?

Any thoughts on this?

23 October 2023 8,131 0 View

Exploratory Case Study on Performance of TCP Congestion Control Algorithms,MAC Protocols,and Routing Protocols for Telemedicine in Wireless Network ?

1) Exploratory Case Study on Performance of TCP Congestion Control Algorithms, MAC Protocols, and Routing Protocols for Telemedicine in Wireless Network Environments 2) Comparison of the...

05 May 2023 5,346 4 View

Genomic DNA not shown on 0.8% agarose.?

I I isolated Soybean DNA from leaf samples with CTAB method 6 times but each time agarose gel does not shown the band's I already reprepared the stocks 3-4 times

17 March 2023 7,027 3 View

How to draw multiple concentration curve (CI) in single graph in STATA ?

I want to compare CI between three diseases in single curve. I am also interested to know the code for decomposition analysis of alcohol behavior in STATA.

17 March 2023 565 0 View

How do we interpret LD decay in a population using GBS based SNP markers data?

I have estimated the LD decay using tomahawk but need resources to interpret the output data.

28 October 2022 8,524 0 View

What is the appropriate method of including the heat generation due to threaded profile cylindrical pin in friction stir welding process?

What is the appropriate method of including the heat generation in numerical modeling of friction stir welding process due to threaded profile of cylindrical pin .

16 October 2022 1,402 0 View

How to compute Entropy, BLRT and VLMR for Latent Class Analysis using R software?

I am looking for tutorial/Code on Latent Class Analysis using R where i am able to compute Entropy, BLRT and VLMR using R . I used Jamovi software to identify AIC, BIC, Goodness of Fit and...

30 July 2022 357 1 View

How to compute Entropy, BLRT and VLMR for Latent Class Analysis using R software?

How to compute Entropy, BLRT and VLMR for Latent Class Analysis using R software? I am looking for tutorial/Code on Latent Class Analysis using R where i am able to compute Entropy, BLRT and...

30 July 2022 4,145 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

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