What are the parameters can control the cavity size? Or it just a hit and trial method.... I have one Schiff base compartmental ligand and other ligand system is porphyrin. I need your valuable suggestion who is working in this field .
Can you please draw your ligand? You cannot get helpful answers without telling people what your compound is exactly.
Hello! I have this scale which had 10 items initially. I had to remove items 8 and 10 because they correlated negatively with the scale, and then I removed item 9 because Cronbach's alpha and...
01 August 2024 4,606 7 View
I was performing estimation of Total Soluble Sugar content in bacterial cultures by Anthrone method. Out of 9 samples, only one sample showed positive reading while others had a negative reading...
22 July 2024 9,576 4 View
Hello researchers, Sorry for my stupid question. I am learning the QIIME2 workflow for analyzing some 16s amplicon NGS fastq data. I found a very nice paper with data and code public available...
20 July 2024 5,405 2 View
I am performing fluorescence experiments using a ligand to detect metal ions. I want to determine the Lowest Detection Limit (LOD) using the formula LOD = 3σ / K. However, I'm uncertain about...
19 July 2024 1,086 1 View
Dear All, I am trying to define the dispersion curves of a periodic unit cell in COMSOL Multiphysics with prescribed displacements. I am using two separate studies: - Study 1: Stationary, with...
13 July 2024 7,855 1 View
I was reading papers on plant secondary metabolites and their applications and many of the papers/books I read, have the point that plant-based medicines which are the result of application of...
08 July 2024 9,935 10 View
The reflexes within the measured XRD pattern are not clearly visible or fully indicated, and a legend is missing. explain this.
27 June 2024 7,257 3 View
Hi, I am looking to link MATLAB to Aspen Adsorption. I know that for Aspen Plus, it is possible to use actxserver(). Does anyone know if the same method can be used for Aspen Adsorption as well?...
20 June 2024 8,338 2 View
(Transfection with two plasmids has worked for this cell line. pRL-TK(Renilla) is not getting transfected).
16 June 2024 6,687 2 View
I am analyzing the zero field muSR data using kubo-Toyabe function. The fit is not converging. I am noted that the asymmetry term on y-axis is neative beyond certain time. I think this is the...
15 June 2024 2,661 0 View
why don't d-orbitals split themselves because of themselves without the presence of ligands? Electrons are indistinguishable. Why wouldn't it be more correct that protons from a ligand split the...
03 August 2024 3,589 3 View
I'm guessing it's because the ligand experiences too much electron repulsion or proton repulsion from the chromium to insert them close to the 3d-orbitals which are close to the metal nucleus. Is...
03 August 2024 1,370 1 View
Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer
30 July 2024 3,354 1 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
I have been able to assign the CHARMM forcefield to my ligand i.e. acetyl coenzyme A but not the amber forcefield. I want to run amber forcefield and the parameterization of ligand is failing. I...
15 July 2024 7,323 1 View
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
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
During the preparation of a ligand molecule in autodock or openbabel Cl atom is not showing in the .pdbqt file whereas it was present in the pdb and sdf file. Due to this Cl atom is not showing in...
13 July 2024 3,486 6 View
Hello, Dear! Generally, I used CHARMM36 + cgenff force field for simulaiton. But,, due to certain parts of lignad, force field cannot be generated using Cgenff. Can I use different force field...
10 July 2024 9,513 3 View