What is the best valid and optimized and productive way to identify binding site of a protein and carry out docking on it via Autdock ?

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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

Can the Dunn's test be used as an appropriate post-hoc for the G-test?

Research Question: Are red grouse (Lagopus lagopus scotica) a statistically significant proportion of raptor (bird of prey) diets? I am planning on using a series of G-tests (determining whether...

23 February 2021 5,827 3 View

What low-cut filter (high Pass frequency) to be used for response spectrum (Tripartite plots) ?

What low-cut filter (high Pass frequency) to be used for the response spectrum (Tripartite plots)? I am currently working on differentiating between hard/soft site responses in Indo-Gangetic...

21 February 2021 9,273 2 View

Where can the fault diagnosis data set of lithium battery be found?

Most of the data sets on the network only contain good information about the voltage and internal resistance of lithium batteries. The data of faulty battery is missing. Who can help me, I will be...

21 February 2021 8,659 1 View

How to define the sink temperature and film coefficient?

Hi, everyone. I am considering the heat conviction during compacting simulation by Abaqus. I was wondering that how to define the sink temperature and film coefficient? Is there any references...

21 February 2021 6,197 1 View

How to discriminate between Sentinel-2 Level-2A Product Discriminators?

According to the Sentinel-2 user guide here (https://sentinel.esa.int/web/sentinel/user-guides/sentinel-2-msi/naming-convention), the compact naming convention is arranged as...

21 February 2021 5,919 9 View

Are ZnS nanoparticles moisture sensitive?

Hello Everyone, I tried to form ZnS nanoparticles using the hot injection method and was able to form the same (confirmed by XRD). When I centrifuged, after the reaction I got a kind of white...

17 February 2021 1,709 3 View

Can anyone suggest a software for running a plant tissue culture lab?

A software which can help to design the experiment, store data, update new data, set subculture reminders, barcoding etc. Like Invitrosoft.

17 February 2021 3,015 5 View

Is an encrypted dataset with Microsoft SEAL compatible with Cloudsim simulator??

Hello, I would like to do homomorphic encryption using Microsoft SEAL on my dataset and then use it as an input to the Cloudsim simulator to do clustering on. Is it possible and compatible with...

16 February 2021 3,915 1 View

Why does flow deformation occur at the test line and control line on nitrocellulose membranes (LFIA)?

I use 1% BSA in 10 mM phosphate buffer (pH 7.4) solution when striping my nitrocellulose membranes with antigens and antibodies. However, I always observe deformed flow when my sample or running...

16 February 2021 4,224 3 View

How to model Supercritical water gasification (SCWG) process in Homer software?

Hi everyone How to model Supercritical water gasification (SCWG) process in Homer software?

25 February 2021 4,075 1 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

Any suggestions or recommendations on a good publishing house based on the African for academic books in the field of Communication and media studies?

I am currently working on a book on Public Relations (from an African perspective) and the rationale behind the book is the fact that as instructors in this field, we borrow instances and case...

19 February 2021 2,482 2 View

When to use different framework?

Hi, can I use both conceptual framework and theoretical framework in my systematic review? My future study plan is to use a theory. In this situation for my systematic review should I use both or...

18 February 2021 9,581 2 View

Person-Codes for questionnaires in longitudinal studies: Is there an easy solution for better matching-rates?

Hi, I have a problem regarding matching of longitudinal data in my field of research (university students). We have a Person-Code for matching data measured in different time points, but 30%+ of...

17 February 2021 3,075 4 View

Can anyone provide an advice on running a validation study of a commercially available product in collaboration with the manufacturer?

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17 February 2021 2,295 3 View

What are the latest topics in strategic management area, esp those related to Quantum managment?

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13 February 2021 891 5 View

What non-parametric alternative can I use for a repeated-measures ANOVA for 2 groups and 2 timepoints?

Hello, I have a question regarding non-parametric alternatives for a RM-ANOVA. In my study I had two groups that were measured on two timepoints (pre-post measurements only). I was planning to...

11 February 2021 8,599 7 View

Can I use a likert survey for criterion sampling in a qualitative study or would that make it mixed methods?

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09 February 2021 8,594 3 View

How to Remove different version of atom from pdb Crystal Structure for Docking Preparation?

I am new to Docking and MD, and currently try to catch on it. I try one of the webserver for docking, but unfortunately not working. it says " Your PDB contains multiple forms of the same residue...

08 February 2021 7,426 3 View

Waseem Ahmad Ansari

Assalam O alaikum Omar A. Soliman

You can go through discovery studio or prosite cavity server.

Ricardo J Ferreira

Hi,

usually I recommend using fpocket (for pocket site identification and druggability score), followed then by docking.

Ifeoma Felicia Chukwuma

Correct pockets are determined with site directed docking. Check relevant websites to identify the amino acids sequence in the binding site of the protein of interest. Then, highlight the amino acids in auto dock vina, and direct your grid to it.