To do a DNA molecular dynamics simulation using GROMACS do I have to constraint the back bone?

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Lithium ion battery Equivalent circuit parameter estimation?

I tried parameterizing an ECM model with an EIS experimental data set using Matlab lsqcurvefit solver. The resulting EIS is in an acceptable range if you see the attached figures. But my doubt...

27 March 2024 4,292 0 View

EIS behaviour for different charge rates for Lithium ion battery DFN model ?

Hello Everyone, I am obtaining the EIS from the DFN model and the EIS profile is shifting to the right side when we increase the charge C rate from 0.3 to 1C or 3C (refer to the figure below)....

05 January 2024 8,808 2 View

What do you think about hyper-aesthetics?

What is the nature of hyperaesthetics? What themes and issues do they address? What theme is cosmetic surgery there? What object is a woman? What achievements have they been given? What problems...

28 December 2023 5,176 0 View

Applying Design Science Research methodolagy in Social science applications?

Extensive research and literature indicate that CRM deployments are at an all-time high. However, there is a disparity between expectations and actual outcomes. The field of IS is paying...

28 September 2023 1,584 0 View

What are the methods available for analyzing the financial behavior of the undergraduates?

In requirement of theoretical and empirical methods available in analyzing the financial behavior of the undergraduates in Sri Lankan universities.

06 August 2023 8,597 2 View

Is there any possible way to separate mycelium from the solid-state fermented waste material?

I would like to know the existence of possible ways to separate mycelium after the solid-state fermentation of waste material. I know about the membrane culture process for mycelium but couldn't...

26 February 2023 3,778 2 View

Fibre supplementation in clinical trials?

We are designing a clinical trial with fibre supplementation for humans. Is there anyone with expertise in that area to be involved as a collaborator? Someone with a nutrition background and...

23 February 2023 9,555 5 View

Does any expert have an idea about steam driven domestic cooker to replace LPG cookers and Biomass fired stoves?

I am proposing to introduce steam driven cookstoves instead of LPG cookers to overcome the community suffering current issue of LPG in my country. It is planning to operate a cluster of stoves in...

27 September 2022 6,484 6 View

Mobile technology - Does Drone technology can help in transporting pathology samples from rural and remote areas??

Dear researchers, I am interested in the potential applications/benefits/barriers of implementing drone technology for transporting pathology samples from a hospital, clinic or a hub to a close-by...

07 June 2022 7,640 9 View

Does anyone know a key for pufferfish identification?

There are pufferfishes in Sri Lankan waters (both in marine and estuarine) and identification is needed.

22 March 2022 584 2 View

Gromacs first step of minimization ?

I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...

07 August 2024 2,598 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 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