AFTER DRAWING a MOLECULE, I WANT TO QUICKLY CALCULATE THE FINGERPRINT (1 OR 0) of the molecule. That will help me see how similar two molecules are, consistent with Tanimoto coefficient
In my qualitative study, I am trying to avoid the traditional belief that types of qualitative research design are just grounded theory, ethnography, phenomenology, case study, historical, and...
15 June 2024 3,884 1 View
My research design is phenomenology. Good! I conducted 33 in-depth interviews (IDI) and 11 focus group discussions in the field. A total of 95 people participated in the FGD. I have no plan to do...
04 January 2024 8,148 11 View
I collected a primary data and analysed it qualitatively (interpretivism), and I corroborated its results with a secondary data (satellite data) which I analysed quantitatively. What type of mixed...
23 September 2023 5,510 8 View
A researcher has deployed a qualitative approach in the data collection phase of research but has later decided to spice the analysis with some aspect of quantitative analysis. What can such...
17 April 2023 8,670 11 View
A lot of papers are published recently on explainable artificial intelligence (XAI). However, there seems no clear meeting point on what researchers define as XAI. Can we have an engaging talk...
04 December 2022 1,609 4 View
I have interests in cybersecurity impact on social engineering and also cyberattacks and the use of MFA/Behavioural biometrics (e.g. Location, screen angle, etc.) to limit fraudulent...
09 December 2021 9,068 7 View
A company operating one of the onshore concessions in the Nigerian sector of the Dahomey Basin wants to embark on well test drilling based on the analysis of available aeromagnetic and full tensor...
05 October 2021 9,704 3 View
Hello All, I am looking for staining protocols for fruit flies. Specifically protocols for acetylcholine(cha), GABA, glutamine (vGlut), and serotonin (TrH). Any help would be appreciated.
24 June 2021 3,774 0 View
Molecular Dynamic simulation of ligand docked to protein active site pocket and to generate plots of RMSD over 30 or more ns
24 March 2021 8,270 5 View
I am conducting a qualitative research on smoking among youths in rural Appalachia. How do I incorporate the theory of planned behavior in developing open ended questions?
12 March 2020 9,661 4 View
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
kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
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
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
Molecular docking software/ websites?
02 August 2024 8,704 7 View
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
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
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
Hello, We found three packages of Illustra™ MicroSpin™ G-25 columns in the cabinet of an unused lab. They are very old but have never been opened. I have never used this kit before, and I couldn't...
25 July 2024 4,927 3 View
Can diamond be grown using molecular beam epitaxy?
22 July 2024 9,755 2 View