In silico can we join two ligands for docking....?

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How combine yolo with Faster R-CNN?

I want a model that is balanced with accuracy or speed, faster rcnn has high accuracy while yolo have fast speed. i am thinking to combine them to get a hybrid model to achieve both speed and accuracy

02 August 2024 3,102 0 View

What should be the sample container for the hydrothermal reaction in a microwave reactor at 180 °C for 10 min at the heating rate of 5 °C per minute?

Suggest one of them 1. Teflon-lined stainless steel autoclave: 2. Alumina (Al2O3) ceramic container

30 July 2024 7,326 1 View

Addition of EDTA during the synthesis of copper nanoparticles to prevent it from being oxidized?

I've attempted to use this method to synthesize copper nanoparticles. Copper nanoparticles can be synthesised using a variety of precursor materials. CuSO4, distilled water, NaOH, and EDTA are...

28 July 2024 8,025 3 View

Can I please ask why my samples from anaerobic bioreactor giving me different size PCR product even after multiple runs?

Hi everyone, I have extracted DNA from a biogas bioreactor using Qiagen kit and prep cDNA library then used this library as template to optimize primers for qPCR (taken from papers). Some of the...

23 July 2024 1,328 5 View

Swerling Characteristic functions?

Hello!!! I want to implement the Swerling characteristics functions (CF) directly in MATLAB without using its Fourier integral pairs...the Swerling CFs are actually Laplace Transform of the signal...

23 July 2024 4,923 1 View

Radar Detection Probabilities?

Currently I need to calculate detection probabilities (PD) from RCS data. Beta distribution parameters for this RCS data are calculated and will be used in Swerling0 Equation. The idea is based on...

22 July 2024 2,850 0 View

Why methanol and sulphuric acid used in the analysis of polyhydroxyalkanoates (PHA) by GC-MS?

Why methanol and sulphuric acid, used in the analysis of polyhydroxyalkanoates (PHA) methyl esters by GC-MS? Additionally, why do we typically use non-polar solvents in GC-MS?

22 July 2024 1,210 2 View

Radar Detection Probabilities using beta distributed Scattering Cross section?

Currently I need to calculate detection probabilities (PD) from radar cross section (RCS) data. Beta distribution parameters for this RCS data are calculated and will be used in Swerling0...

22 July 2024 865 0 View

I want to buy Hydrothermal Synthesis Autoclave from any European company. Can anyone suggest any company inside Europe?

Thanks

22 July 2024 1,141 3 View

Optimal condition for depositing FTO target 95:5% using sputter technique?

Hello I want to know about the sputtering condition of depositing FTO from target 95:5%. I tried with RF sputter in pressure 2.5Pa and 100 sccm Ar at room temperature but it showing no...

21 July 2024 1,680 2 View

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,703 7 View

AutoGrid and Autodock 4.2.6 window opens for 1 second then closes and there is no output files?

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

Is it possible to dock more than one drug in the same active site or pocket of a protein to study synergistic/antagonistic/additive properties?

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

What is the main factor involve in higher binding score performing molecular docking?

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

How to extract binding energy from pv.maegz file without using Schrodinger?

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

How to calculate theoretical Ki from the docking results?

I have used Schrödinger (Glide) for docking

13 July 2024 3,003 1 View

Can we analyse RMSD for peptide-HLA docking and binding affinity for peptide-HLA to TCR docking, in a peptide-HLA-TCR docking ?

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

Looking for a bioinformatics expert especially one who has expertise in Nanoparticles docking ?

Silver Nanoparticles docking with alpha amylase and alpha glusidase .

11 July 2024 6,882 2 View

How to prepare materials before protein-peptide or protein-protein docking?

Hi all, I am conducting research on screening peptides (20-35 amino acids) with potential for treating dengue fever through protein-peptide docking methods. In the protein database, I found the...

10 July 2024 8,035 1 View

How can I deal with the error message generated while dropping pdb files on Autodock tool ?

Dear Docker community, I'm a beginner at using molecular docking, and I'm facing a problem when I want to open or drop a pdb file on Autodock tools. The folder is saved with the extension.pdb;...

05 July 2024 8,347 4 View

Kavita Patel

if you want to join two ligands, you have to predict the structure of it. Cause you can not join the two ligands by pasting them on the notepad, you have to predict the actual bonds, bond length, and other types of interactions between them.

Sahil Jain

You need to clarify the chemistry of the ligands. Are they peptides which are potential vaccine candidates? In that case, you might need to use linkers to join the peptides and then, predict the structure of the resultant construct.