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I did a simple organic reaction where I left with excess of Polyhydroxymethylsiloxane (PHMS) in the final product solution. I tried to extract it with aqueous layer, but I failed. Let me know, if...
08 September 2015 2,858 3 View
I have a protein-protein complex and therefore, need a visualiser to look at those amino acids which are at interface of these proteins. However I am also interested to see the interactions...
06 July 2015 9,841 15 View
when we do superpose of 3 pdbs together (1 on 2, 2 on 3, 3 on 1) and after that if we change the sequence of superposition, will there be any possibility to see the change in RMSD value (before...
05 June 2015 8,201 7 View
I have 6 receptors and only 1 ligand. In the meantime I interested to do the docking in all these receptor. Is there any way where we have a generalised way to dock this compound to these receptor...
10 November 2014 4,551 12 View
Hi I am looking for a MD simulation calculations for Small molecule-Protein interaction. But right now I am limited to Windows. So please let me know if there is any software which is useful in...
10 November 2014 3,958 10 View
I want to dock a carbohydrate molecule as a ligand on a protein. What is the best scoring function/force field that I can use for this type of docking?
10 November 2014 3,253 5 View
I want to know about the tools available for searching for a protein or receptor for a known ligand.
09 October 2014 6,300 9 View
What is the best reagent which can be useful in the reduction of 2,4-dinitrobenzaldeyde?
07 August 2014 1,894 16 View
What we know is that the proteins get acetylated at lysine moiety. But looking into the structure, we got around more than one lysine moiety. Then how it can be possible to find out which lysine...
07 August 2014 1,253 6 View
Recently I was encountered with a problem where structure shown in figure is not able to get converted to any product. May be possibly due to its resonance effect or any other effect between the...
06 July 2014 1,715 18 View
Approximate concentrations are require in compared with the WHO permissible limts
11 August 2024 2,723 1 View
Hey there, As a synthetic chemist delving into theoretical calculations for my imidazolium-based organic molecules, I would greatly appreciate any guidance on the appropriate input instructions...
09 August 2024 5,444 7 View
I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...
08 August 2024 8,329 0 View
Hello What should be done to separate and identify organic acids in HPC when their RetTime is the same?Like oxalic acid with Propanoic Acid.or acids that have a very close RetTime.
07 August 2024 8,782 3 View
I used humic acid at 0.044 g/kg soil in my pot experiment. But finally, I have to recommend kg/ha. Each pot's soil weight was 11 kg. What is the solution?
02 August 2024 7,186 6 View
Hi everyone, I'd like to better separate two close peaks coming from a bioconversion sample, I'm currently using a C18 KromaPhase 4,6mm Ø.I. SCHARLAU, particle size (µm): 10, pore size (Å): 100,...
30 July 2024 435 3 View
I am currently working on a project involving liposomes and need to determine the maximum volume of siRNA that can be added to a 2.5 mL liposome solution with a total lipid concentration of 10...
30 July 2024 6,420 1 View
Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...
27 July 2024 5,748 0 View
It has been long known that EDC carbodiimide and NHS easter's half life agains hydrolysis are highly related to pH. However, very surprisingly, not yet found a paper giving a table/chart of their...
25 July 2024 8,738 0 View
I run mechanochemical reactions that involves the use of a large amount of catalyst (1:1 molar ratio to the reactant). When I try to understand the effect of amount of catalyst on the reaction, I...
23 July 2024 9,938 1 View
