Can anyone suggest a protocol or procedure to analysis large set of docking conformation from autodock 4.2?

04 May 2023 1 5K Report

I am studying a protein and ligand interaction using autodock4.2, I have a large dataset where I need to study around 15–20 ligands with my protein of interest I have generated 50 different conformations for each ligand using autodock 4.2. Using discover studio I have generated 2D plots, having a huge data set and low time I want to perform statistic to understand the probability of highest interacting residues.

I have attached a plot as an example, can anyone help me out, how to generate such statistics

Ruan Sousa Bastos

Sethupathi Raj S Did you get any procedures?

Badges
Science topic

More Sethupathi Raj S's questions See All

Sample dilution for quantitative analysis using ELISA?

If the detection range is in ng/ml but the reference range is in ug/ml for a molecule or protein in serum or plasma .how to dilute and what is the initial volume to be taken for quantitative analysis

02 March 2021 7,670 3 View

What are the new 2D nanomaterials were used for Silver nanoparticles stabilization?

In the stabilization of AgNPs are vital in current research interest. However, some of the 2D nano-materials like graphene oxide, MoS2, etc... previously used to stabilize it. But still they shown...

01 March 2021 2,207 3 View

What information can be had from raman at higher wavenumber?

i have recorded raman spectra of strontium oxide thin film. the spectra were recorded in the range 400 to 4000 cm-1. i have reference to peaks upto 1000cm-1. but i couldn't find literature for...

26 February 2021 2,499 1 View

What are the methods used for CNT..?

Respected Professor's i hope you are doing well and happy. i need some information about carbon Nanotubes. before blending the CNT with the matrix the CNT has been introducing in some treatments....

24 February 2021 5,383 5 View

Langevin Dynamics in shear flow?

Hi, We are trying to simulate particles with Langevin dynamics in a shear flow by Lees-Edwards boundary conditions in MD simulations. It seems thermal forces and shear flow do not go hand in...

23 February 2021 1,761 1 View

How we can measure Kemp % in wool without using of benzene?

Would you please let me to know about the methods for measurement of medullation and Kemp % on animal? My problem is that the wool sampling and sending to laboratory is not possible. So I would...

21 February 2021 7,260 4 View

Which is the best software or programming language (user friendly) for analysing data?

I have a basic knowledge on Python, R and MATLAB in analysing data. Among those, which is the best and user friendly? Which one should I learn deeply to analyse data?N:B: I want to learn data...

20 February 2021 3,950 15 View

Hi..how to isolate crude HDL (all subfractions) from human serum by size exclusion chromatography?

I would like to know about isolation of crude HDL from serum by SEC. Is it possible to perform with a serum sample volume of

19 February 2021 5,576 2 View

What is the reason film thickness increased?

what is the reason film thickness increased when increased doping concentrations give some reasons The measured film thickness is 156, 282, 394, 548 and 681 nm for 0, 1.5, 2.5, 3.5, and 4.5 wt....

17 February 2021 8,987 5 View

Python - TRNSYS link not working with Type169?

I used Type169 for data exchange between Python and TRNSYS. Unfortunately, facing the following error. No proper documentation is available for this part. TRNSYS Message 105: A TYPE was called in...

14 February 2021 5,577 1 View

How to compare two groups with only two measurements?

Hiiiii everyone! I have an enquiry on statistical analysis. I was looking for many forum and it's still cannot solve my problem. I want to compare means of two groups of data but only with two...

03 March 2021 8,796 3 View

Dear all, I was wondering if anyone knows whether MGLtools and Autodock can run on Mac OS?

I have tried to download the 64-bit version of MGLtools however, as many times as I have downloaded and uninstall the programs, an error arises that the app needs to be updated. Thank you.

03 March 2021 5,997 2 View

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10?

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10? Since, the growth curve from day 2 to 10 won't be like the "Logistic curve" it might not follow logistic...

03 March 2021 1,401 3 View

Ester cleavage conditions?

Hi all, I need to cleave the ester in Ethyl 2-amino-1H-imidazole-5-carboxylate to make the carboxylic acid and retrieve the product from solution to use in downstream applications of linking to...

01 March 2021 8,766 3 View

How to address this issue in the analysis of Real-Time PCR results?

To dear Researchers, I was analyzing a series of concentration for estimation of Real-Time PCR efficiency. The concentration was 1:10. I used MS-excel to evaluate Slope. The result of slope was -8...

01 March 2021 8,683 4 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

VIF very high, but correlation is low and coefficient is significant. Which one whould I choose?

Hello. I have a question whether if my coefficients (statistically significant) would be valid when VIFs are really high. In my model, there are independent variables(IV), moderating variables...

26 February 2021 956 13 View

Data Analysis K-S and S-W tests?

Hello, I have conducted analysis where the K-W and S-W have come out as p

25 February 2021 9,648 3 View

Statistics: include groups of respondents made by one person for analysis?

Good morning, I could not find literature about this so I am asking. I am organizing data for a questionnaire (N=100) that foresees some personal questions like level of education. For the aim...

25 February 2021 2,090 4 View

Is it efficient to do liquid biopsy to investigate the gene expressions of the tumor?

To do liquid biopsy and look for specific gene expressions there are so many published papers. Thera are different protocols and procedures used to isolate circulating cell free RNA or mRNA from...

23 February 2021 7,326 5 View