How to get structure and topology for glycosaminoglycan (GAG) of arbitrary length?

Hello all, I want to do glycosaminoglycan (GAG) simulation in Gromacs. Initial structure and CHARMM topology for short chains can be obtained from Charmm GUI glycan modeler. But I have to take...

23 December 2020 6,092 2 View

Have spin-based devices found any appilcation in medical science?

Spin-based devices such as magnonic chips, spin-torque oscillators mostly find their application in signal processing, computing, etc. Is there any research work focusing on developing magnonic...

17 October 2020 3,459 1 View

Does the distance between two atoms in GROMACS can exceed half of the box length?

Dear all, I have done simulation of two carbohydrate molecules in Gromacs with simulation box length of 6 nm. I have corrected the trajectory using trjconv with pbc mol and center flag as used in...

04 September 2020 306 5 View

How to plot Lateral Stress map from lipid bilayer simulation?

Hello all, I want to plot lateral stress map from MD simulation of lipid bilayer i.e I want to plot local stress of bilayer as a function of x and y. Is there any Gromacs module or external...

09 August 2020 3,819 4 View

How to simulate a polymer at micromolar concentration in GROMACS?

Dear researchers, I want to simulate a polymer at micro molar concentration in GROMACS. Whenever I try with simulation box of about 30 nm each side , the force is not converging. Therefore, if I...

01 August 2020 3,297 3 View

What should be the measure of effect size for meta-analysis of efficiency-based studies?

I am planning to conduct a meta-analysis on the efficiency of MFIs from existing literature, restricted to DEA/ SFA based studies. However, most DEA/ SFA based meta-analyses (Thiam and Bravo-Ureta...

30 July 2020 4,534 1 View

Can crude enzyme be used for immobiliazation?

Can crude enzyme be utilized as immobilized enzyme for industrial application if the crude enzyme shows high activity?

13 July 2020 8,672 4 View

All the papers or articles published in Scopus Indexed journals will be in Scopus Database or not????

I want to know whether all the papers published in Scopus Indexed Journals will be in Scopus Database for sure, or scopus will evaluate all papers and take specific paper on their Database Please...

28 June 2020 8,495 4 View

From where can I get microglia cell line like N9 or BV-2 in India ( preferably in Kolkata)?

From where can I get microglia cell line like N9 or BV-2 in India ( preferably in Kolkata)?

05 November 2019 7,719 2 View

What is sampling error ?

By using Yamane's formula the required sample size was 250; now can I select 300 samples for performing a logistic regression ?

19 September 2019 6,202 8 View

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

Can we block unwanted images during the x-ray prediction?

i am try to classify the x-ray images. During classification , can i block unwanted images (except x-ray image).

03 March 2021 7,100 1 View

Does anyone know to clarify these changes?

01 March 2021 1,290 2 View

In an eye with Tyndall, does each dot correspond to an individual cell?

When you observe the presence of Tyndall in an inflamed eye: Does each of the small floating dots correspond to an individual cell or to an aggregate of cells? Does a conventional slit lamp have...

27 February 2021 6,326 2 View

How to calculate the crystallinity of cellulose film?

27 February 2021 2,753 4 View

What could be the reason for not having further low chi square value (better agreement) in my refinement result?

I have tried every combination of parameter changes and after that i have a poor chi square value. I can't get it lower any further. I know there have been a lot of discussion about Rietveld...

26 February 2021 8,480 3 View

Can anyone share his experience regards Smoothing in origin?

I am working on TiO2 composite material and the results of XRD have a lot of small/junk peaks and while I apply a smooth filter in Origin then the other characteristics peaks disappear so anyone...

26 February 2021 8,183 3 View

How to replicate the well conditions of a crystal hit with 20%(w/v) isopropanol?

I had a crystal hit in a well with 0.1M HEPEs pH 7.5, 10%(w/v) PEG 4000, and 20%(w/v) isopropanol. Why is isopropanol in w/v here if it's just solvent? How do I recreate this well condition?

25 February 2021 9,761 1 View

I have need of XRD graph analysis software for phase identification. Can you please provide links for software tools which can be downloaded?

i am trying to download x'pert high score software, but can't download it. please do suggest software for phase analysis

24 February 2021 5,687 4 View

Why the CHi^2 is close to zero with a bad fitting but the Rp and Rwp are still high?

I am refining my XRD data using in FullProf program. The intensity of the modulated X-ray peaks is almost flat. I tried to adjust the peak intensities but unsuccessful. What is the reason? I guess...

23 February 2021 2,304 4 View