i am using swiss dock for my compuonds. Is it possible to superimpose different ligands and standard molecule at the active site in swiss dock
unfortunately, the server rejects multiple ligands in a file
suggest any list of journals to publish my article with impact factor 3-4 impact factor
23 July 2024 6,219 2 View
I am estimating the transactional associations of two LGC processes (maternal depressive symptoms and child externalizing behaviors) and would like to include the concurrent covariances of their...
29 May 2024 9,800 0 View
I am currently preparing zeolite pellets for adsorption applications, specifically for removing phosphate and ammonium from aqueous solutions. So, I need to know about the binder used during this.
27 May 2024 5,802 0 View
I am trying to transfect THP-1 cells with RNP of CRISPR/Cas9-GFP using ThermoFischer Scientific Neon Transfection System. The current settings are 1400V, 20ms breadth, and 2 pulses. I have done it...
26 May 2024 970 0 View
I want to remove phosphate and ammonium from wastewater for this I want to prepare zeolite pellets.
15 May 2024 3,342 0 View
My Phd is in HR area. I want to study the impact of independent variable on dependent variable. And study whether there is significant positive relationship between IV & DV. in such...
24 March 2024 1,932 4 View
We have prepared 14 nm GNPs by using classic citrate synthesis method where trisodium citrate is being used as reducing and stabilising agent. Then we put 6-thioguanine (purine analogue with an S...
06 November 2023 7,903 1 View
I synthesize 2 different solutions at different pH values (pH 3 and 4.5), but at pH 3 the color of my solution is red, and although I get a color from colorless to yellow in my solution at pH...
22 October 2023 5,019 0 View
In my case, rho_c is 0.7 and above whereas rho_a of some constructs is 0.5 or 0.6. Can I use rho-c in this case if I dont want to remove the items? Please share a valid reference to cite for the...
22 September 2023 1,811 3 View
I am working on the adsorption properties of formaldehyde on a metal oxide monolayer. The least adsorption energy value for one of the configurations turned out to be 1.55 eV. What shall I do now?
14 August 2023 5,715 1 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
Molecular docking software/ websites?
02 August 2024 8,704 7 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 wanted to know whether we can observe the synergistic/antagonistic/additive properties of combinations or mixtures of compounds through docking analysis. But during docking preparation any...
28 July 2024 7,413 6 View
A molecule shows the -11.6 kcal/mol and second one -8.0 kcal/mol so why molecule (A) revealed higher binding score. Please explain major factor involve in it.
21 July 2024 954 5 View
I have performed docking of proteins with two ligands, both ligands show affinity. I want to check the effect if we join both ligands and perform docking
20 July 2024 2,653 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
I have conducted virtual screening using Schrödinger on a database of 17,000 molecules. Unfortunately, I cannot use the system with the Schrödinger license at the moment. I am trying to find a way...
18 July 2024 2,881 4 View