How to draw the acurate 3d structure of ferrocene containing compound? Which visualization program will be best to draw this 3d structure and which software will be best to optimize its geometry?
A crude extract of fungal culture using EtOH was subjected to column and TLC and partially purified compound was obtained. UV vis spectrum of the compound/s has max absorbance at 218nm. The...
11 August 2024 9,801 2 View
I am not able to get good literature and the physics behind how first these grains and grain boundaries arises out of no where when we make a pellet to study its dielectric properties and then how...
07 August 2024 5,177 3 View
Research on politics administration relation can conduct based on case study method?
01 August 2024 9,557 1 View
Hey All! I am wondering what might be wrong with my band structure. I did the calculations using VASP and plotted the results using Origin. Although I have tried changing various input...
25 July 2024 2,920 11 View
Gene sequencing related trouble shooting
25 July 2024 4,149 2 View
I am looking for a lipid waste disposal method, keeping in mind the environmental, health and safety aspect of lipid waste. Could someone please provide guidelines or the lowest acceptable...
25 July 2024 637 5 View
Why methanol and sulphuric acid, used in the analysis of polyhydroxyalkanoates (PHA) methyl esters by GC-MS? Additionally, why do we typically use non-polar solvents in GC-MS?
22 July 2024 1,210 2 View
I am writing a paper as a part of my course. I am new in London and was wondering that what publications should look upto?
21 July 2024 3,538 1 View
After World War, we have seen the formation of the United Nations. The sovereign body for peacekeeping but with regards to the Russia-Ukraine war it is visible that the UN seems to be ineffective...
18 July 2024 4,674 4 View
It has been a quite long time since the Russia and Ukraine war has been going on and if we see the context of Geopolitics and International Relations we don't see a mediation between the two...
18 July 2024 6,737 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
Is this circle one of the rings?
03 August 2024 5,988 0 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
I want to draw ph diagram using Engineering equation solver EES for refrigerant R134a and R1234fy and some other. I don't know how to draw the multiple ph diagram on same dome or overlapping to...
30 July 2024 647 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