How to continue a molecular dynamics calculation on Desmond that was stopped by a power cut?

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Panel unit root tests in presence of cross-sectional dependence with R. Do you know how to install the package "punitroots"?

As part of my Master thesis I have to do cointegration tests on panel data with cross sectional dependence in Rstudio. I'm blocked because I can't install the "puniroots" package needed for unit...

11 September 2019 9,818 4 View

Can anyone recommend publications on the reliability of nutrient foremen (particularly in long bones) as a criteria for species-level identification?

I've been taught a mixed bag, but have not had much success finding literature on the use of major foramina to identify species. Citations along these lines would be appreciated. I'd like to...

22 February 2018 5,070 1 View

Does anyone know of articles on students perceptions on staff floor nursing?

I am doing a literature review and was hoping to find more articles on a students perception whether positive or negative of their staff floor nurses. Any help will do. Thanks

19 October 2015 234 3 View

What is the time-scale of lytic T7 bacteriophage infection of E. coli. Phage protein synthesis. E. coli lysis?

How well known is the timescale of T7 bacteriophage infection (t =0) through cell lysis (t=end)? How well is this characterized? What tools are used to monitor this bacteriophage infection pathway?

04 December 2014 2,617 1 View

What kind of algorithm do you use for a fluid structure interaction problem of multiple bodies?

I am developping a library of mesh mover for FSI, but I got some problem to keep valid mesh for movement of high lift components of aircraft (from takeoff to cruise). I use an interpolation...

08 July 2014 7,101 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