My docked complex is 978 AA long and I am unable to optimise Simulation using Gromacs.Tried differnt box type & size still graph is unusual. Any lead?

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Which DL architecture is better to work on handwritten data?

I am working in the area of Handwriting recognition for Bangla. As there are many DL architecture, I am confused which one to select.

15 February 2021 4,996 1 View

Do you have any experience of taking astaxanthin supplement?

Astaxanthin is a keto-carotenoids having reddish color. It occurs naturally in certain algae and causes the pink or red color of different seafood especially salmon, shrimp, trout, and lobster....

29 January 2021 7,861 2 View

How to remove/reduce Back Reflection from Objective?

I want to have a optical system where, I focus a beam onto the BFP of a microscope objective. Unfortunately, I always have a strong Back Reflection from the objective. Can anyone suggest me some...

18 January 2021 2,062 8 View

How to calculate binding energy and different interactions from a pdb file of protein-ligand complex?

I have done a docking study by using mcule.inc web-service. I got the .pdb file of my protein-ligand complex from there. As I am using a free student account, I don't have access to more...

14 January 2021 2,321 2 View

Why there is no increase in virus titer after 24 hour of seeding for harvest?

I am working on virus production through bioreactor,my concern is regarding ,no increase in virus titer after 24 hour of seeding for harvest Usually we seed the fermenter and incubate for 72...

05 January 2021 3,860 2 View

How to optimise or tune the hyperparameters of Gaussian Process Regression?

I am working with the algorithm Gaussian Process Regression. I used gaussian process regression module from scikit learn library of python. But I couldn't correlate the hyperparameters of Gaussian...

24 December 2020 4,864 4 View

Can you suggest me how can I use D2O for dissolving chitosan sample for NMR analysis?

I am trying to dissolve chitosan with pure D2O but it is not dissolving. I read some articles that used D2O for dissolving chitosan before 1H and 13C NMR analysis? Do I need to do some...

14 December 2020 6,931 5 View

How many chapters (objectives) are necessary for a standard Ph.D. thesis?

This question is focused on biological, chemical, and material science. I think the answers also will help the future Ph.D. students for writing a good Ph.D. research proposal.

10 December 2020 2,090 34 View

Running a Kruskal-Wallis test on a large sample with a likert scale on excel?

Hi everyone, I would like to run a Kruskal-Wallis test on a large sample with a likert scale. I am having difficulties figuring out how to process with the ''rank_avg'', and rank sum with such a...

05 December 2020 793 3 View

Can someone help me with a code for R software for principal component analysis and even tell me how to arrange the dataset?

I am having a biparental mapping population of rice with dataset of various morphological and post harvest parameters from F6 and F7 and 6 checks in augmented block design.

17 November 2020 6,272 4 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

What is your perception on using visual analysis or quantitative approaches to evaluate data from single-case research designs (n of 1 trials)?

Results of single-case research designs (i.e., n-of-1 trials) are often evaluated by visually inspecting the time-series graph and computing quantitative indices. A question our research team is...

03 March 2021 687 1 View

How can I make stacked bar graph with scatter plot?

I want to make a stacked bar graph with showing each data value as dots. I tried with graph pad prism, version 6, but could not succeed. Does anyone have tried before making such graphs?

01 March 2021 9,383 1 View

What could be reason for getting such type of graph for complex impedance in case of polymer blend films?

Its effect appears in real part of ac conductivity also. Can anyone suggest any reason behind it?

26 February 2021 3,487 3 View

Can I use a graph from a another source in a thesis?

I have a permission from X company to use their graph from a report, but they have a reference in the bottom left corner of the graph as follows: "Source: Database Y". Is it OK to use this graph...

24 February 2021 2,269 3 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

Could you please suggest to me research in which a relation between the shear wave velocity and the degree of saturation for stone was discussed?

Hi all, I am looking for a graph or a relation that relates the degree of saturation and the shear wave velocity for the marlstone. Looking forward to your suggestions Best Regards

24 February 2021 9,690 1 View

Build an orthogonal box in ASE?

Hello, I was wondering the best way to build an orthogonal box filled with a defined crystal structure in ASE. I know it could be easily done in LAMMPS, but I guess it is also doable in ASE. The...

21 February 2021 5,899 4 View

What are the potential shell well and atomic solvation parameters for the boron atom?

I have a protein-ligand docking project. The ligand contains boron atoms that are not detected by Autodock software. To solve this problem, it is necessary to introduce the boron atom to...

19 February 2021 1,236 1 View

Algorithms to filter corrective max and min from a set of data?

I've got this 5 year Direct Normal Irradiance data I downloaded from https://re.jrc.ec.europa.eu/. I ordered this by year and by every 24 hours because I need the DNI curve by max in summer, min...

17 February 2021 2,777 5 View