I want to calculate binding affinity of small molecules with metal cations. Any user friendly software available for that? Like there is Prodigy for proteins and ligands?
Docking score of ligands with targets is the binding affinity scale
Thanks, Hesham for your answer .. any suggestions about a particular platform I can use??
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 3,104 0 View
Suggest one of them 1. Teflon-lined stainless steel autoclave: 2. Alumina (Al2O3) ceramic container
30 July 2024 7,326 1 View
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 8,027 3 View
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 1,329 5 View
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 4,925 1 View
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 2,851 0 View
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
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 868 0 View
Thanks
22 July 2024 1,143 3 View
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
Hello. Thanks for your consideration to see my question. Recently, I conducted XPS anaylsis of g-CN that is prepared from thermal polycondensation of DCDA, so-called conventional bulk-g-CN,...
30 July 2024 9,824 2 View
I am working on natural remedies for de-worming in small ruminant livestocks. Part of my project involves formulation of drench-type product, which I have not much experience in. My experience is...
30 July 2024 9,806 1 View
Do You Believe VP Harris Would Show Empathy to Tech Companies in Her Administration as POTUS? I ask in light of the fact that, the ACP was not re-funded this round. So many and businesses need...
24 July 2024 4,732 3 View
I performed mmpbsa of protein-protein complex simulation on gromacs. My binding free energy is +166781. This complex is stable when experimentally produced in wet lab. In index.ndx I grouped...
19 July 2024 4,120 5 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 been running native page for FAM DNA substrate ( fluorescence samples) for protein DNA binding reaction. Binding is there but towards the end of the lane , I am loosing signals...
17 July 2024 6,213 4 View
I have a small molecule reagent with a boc-protected amino group. Now the reaction needs to be reacted at 37°C for 30 h. Is this protection group stable?
12 July 2024 3,745 2 View
I am a beginner in this field. While I am reading papers and the understanding is getting better. However can someone explain in easy and simple words. Really thankful !
08 July 2024 8,337 5 View
Hello dear researchers, I would like to know about available in silico tests that could predict the activity of ligands (small molecules) against the target protein. I have performed docking...
08 July 2024 4,724 4 View
Hi, I hope you are doing well, I am working to remove DNA from protein sample by using silica hydroxode magnetic beads. I used different binding buffers but I din't get my protein band in initial...
02 July 2024 5,502 4 View