Autodock Vina- Error in docking
In the config.txt file, there is a space between "energy" and "range". The space should be replaced with an underscore character. The correct option would be: energy_range.
I have carried out MFC experiments on three different volumes, 50, 500 and 1000 mL of wastewater. Results after MFC treatment shows that TDS and EC are more in larger volumes of water i.e. TDS and...
09 August 2024 9,621 0 View
Pig slurry is rich in major and minor nutrients. Is there any way to improve / Enrich its manure quality to be used in agriculture organically ? please share your knowledge.
09 August 2024 5,605 2 View
Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
Hi, we have measured tryptic peptides using both DDA and DIA method on QExactive. In DDA replicates i saw unusual intensity drops occurring at the same sections of chromatograms in DDA replicates...
07 August 2024 3,218 4 View
Hi How can this equation Ln(LA) = 1.038 + 0.89 ln(X) be applied to calculate the leaf area of a tomato? Can you explain with an example and what is the substitution of Ln and ln?
06 August 2024 2,508 2 View
I aim to be as skeptical as possible regarding whether a pair of orthologous genes results in the same phenotype in their different but related bacterial organisms under similar environmental...
05 August 2024 6,787 4 View
I ran a SDS-page of a bacterial lysate and I want to quantify protein concentration in a specific band. I was thinking of using a standards ladder or make some standards are different...
05 August 2024 9,805 3 View
XRD Analysis is showing only Calcium carbonate. It is not showing other compounds. Can anyone help me get the other compounds
04 August 2024 3,019 3 View
I work on MCF7 cell cell for anticaner purpose and I wa to do drug preperation the drug ( secondary metabolites extracted from Aspergillus) My question which solvent is better with these secodary...
03 August 2024 4,725 2 View
Machine learning (ML) has shown great potential in predicting the compressive strength of concrete, an important property for structural engineering. However, its practical application comes with...
03 August 2024 2,546 2 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
When I run autogrid4 it says: autogrid4: ERROR: Unknown receptor type: "Cr" -- Add parameters for it to the parameter library first! Look forward to your reply.Thank you so much!
29 July 2024 488 0 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 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
I have used Schrödinger (Glide) for docking
13 July 2024 3,003 1 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
In the peptide-HLA-TCR docking process, can we express the result of peptide-HLA docking in RMSD and for peptide-HLA to TCR docking, can results be expressed in binding affinity?
11 July 2024 4,831 0 View
