How to generate virtual chemical library, If I have a Head group, linker and tail group?

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Which type of compound does lamda max of 218 indicate in a uv-vis spectrum of a partially purified compound through column and TLC?

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

Gromacs first step of minimization ?

I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...

07 August 2024 2,598 1 View

How does grain and grain boundary affect the ceramic when studying its dielectric properties?

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

Can I multiplex a mouse monoclonal and rat primary for IHC (mouse brain tissue)?

Hi all, I was just wondering if anyone has experience with multiplexing a mouse monoclonal primary and a rat primary. I'm trying to multiplex by incubating them in the same well but was told by a...

06 August 2024 9,710 1 View

Reason for discontinuities in my Band structure?

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

If my gene of interest has high GC content can it be problematic in sequencing? What kind of error is expected with GC rich gene sequences??

Gene sequencing related trouble shooting

25 July 2024 4,149 2 View

How to dispose off lipids waste?

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

What publications should I target as a psychology masters student in the UK?

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

How effective has the United Nations been in addressing the conflict and its consequences?

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

What are the main obstacles to achieving a ceasefire or peace agreement between Russia and Ukraine?

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

How to estimate a protien's size using Chimera or PyMol? how correct this estimated can be?

I need to know the approximate size of my target protein for Negative-stain EM. I have an alpha-fold predicted structure of the protein. I do not see any turtorial on internet for estimating the...

21 July 2024 5,732 3 View

Printing residues in an object in Pymol?

Hi! I am currently working on a protein where I have selected residues within 10A of its bound ligand in pymol. However, I can not find a way to print out what residues are contained in that group...

15 July 2024 1,727 1 View

How can we identify (in silico) the interacting amino acid residues or the nucleotides involved in the Protein-Protein / Protein-RNA interaction?

Hello! everyone, I am trying to study in silico Protein-Protein and Protein-RNA interactions. Now, is there any tool with which I can identify the interacting amino acid residues or the...

14 July 2024 950 2 View

Is PyMOL good for conformational editing of a protein structure?

I'm trying the edit the orientation of some side chains in a homology protein model I made. Can I use PyMOL for such tasks? If so, could anyone navigate me to some online tutorials? If not, what...

01 July 2024 4,409 4 View

How to prepare proteins for multiple Ligand Docking with PyRx?

Hello everyone, I have been trying to understand the concept of performing docking for repurposing studies. I've watched a couple of tutorial videos about docking with Pyrx, but at some points, I...

29 June 2024 860 3 View

Is PyMOL available in github free or not ?

Can someone clarify whether the Pymol version is available in GitHub free or to be subscribed to? Can this Pymol be installed in Python and be used for research publications ? I installed Pymol...

12 June 2024 9,969 2 View

Will agrobacterium injection / infiltration techniques yield a stable transformed line?

I've recently come across the method of agroinjection and vacuum infiltration of various plant tissues (seedlings, potato eyes, tomato fruit). These methods are new to me and very fascinating but...

06 May 2024 3,036 2 View

Use command lines to show disulphide bonds in Pymol?

Hi there, I understand one can use the mouse to click the control panel to show disulphide bonds on the protein, but just out of curiosity, is there any command line that is able to do the same,...

30 April 2024 4,891 2 View

I have docked 17 antiviral drugs using UCSF Chimera AutoDock Vina. I need to select the best 3. How do I do that?

I need to select 3 best results from the list of the 17 antiviral drugs. How do I select that?

25 April 2024 5,386 1 View

How can I make Isight interact Catia with Abaqus?

Hi, I need to optimize a sub-frame of vehicle natural frequency in Abaqus with Isight. After I imported CAD data from Catia into Abaqus, I established model and model is correct, but in Isight...

24 April 2024 6,058 10 View