What is the importance of knowing the protein-ligand interaction after docking is done?

More Augustine Besong Arreyetta Bawak's questions See All

What is the status of malaria vaccine?

Malaria is the highest killer disease in Africa, yet no vaccine has been developed against it. Any hope in sight?

05 October 2020 5,670 7 View

I tried to run Ligplot+ version 2.2 for the first time on ubuntu 16.04 but it always report error: error writing parameter file. Can you help?

I downloaded a components.cif file and filled the location of my .pdb files as shown in the picture below. It still showed error. The program usually opens but doesn't display the pdb files I want...

25 May 2020 8,509 2 View

I tried metawin unfortunately I couldn't get much help on how to code studies. Does anyone know a good free package for correlation meta analysis?

By the way I also need advice on which correlations to extract from factor studies ( exploratory, confirmatory, & SEM PLS) for meta analysis?

16 March 2020 7,217 3 View

Who was DIMU in the history of Egypt? How is it linked to Kadimu of Siaya County, kenya?

there is a name called Kadimu bay in Siaya, kenya. However, there is also a historical figure called Dimu who seems to be related to the Luo. What is the link between the Egypt Dimu and the Kenya...

29 January 2020 5,176 1 View

Can one conduct a meta analysis on previous meta analyses?

When meta analyses on the same topic yield different results with no consensus, can one conduct a meta analysis on the Meta analytic studies?

19 December 2019 6,113 4 View

Is it possible to run mediation for a panel data?

I intend to run a sequential mediation for a study but am at a lost as to my data. My search shows process macro is not for panel data, but my data is panel. can i be assisted in running a...

28 May 2019 8,256 20 View

What is the effect of white spirit or petroleum spirit on the drying time of alkyd paints?

I desire to know the contributive effect of the solvent, white spirit oon the drying time of oil-based paints made from alkyd resiin

07 January 2019 5,695 1 View

Any alternate computer/software program, besides R-package or Xcalibre 4.2 for computing effect size within DIF?

The goal here is to provide my students with a relatively easy program to use for computing effect size estimates for DIF [item-level invariance] within IRT (parametric). Xcalibre 4.2 offers this...

20 June 2015 3,702 2 View

What is the population doubling time of mesenchymal stem cells derived from human bone marrow derived?

while calculating PD from which passage number should we take into consideration? Passage 0 (culture initiation) will not have the absolute MSC cell count since we just add Mononuclear cells from...

05 April 2015 8,561 5 View

Does media change or passaging of cells in cell culture reduce endotoxin levels?

Does culture passaging or media change reduce endotoxin levels?

29 December 2014 9,274 12 View

How the parameters (such as Mw, Chemical bonds, polymer bland and so on) affect the mechanic property of polymer (such as storage, loss modulus) ?

Anyone can recommend any books on such topics? Thanks in advance.

02 March 2021 8,457 2 View

How can you bring two structures together to create an adhesive bond in LAMMPS?

I have created an Ice 1h crystalline structure and an Aluminium substrate structure and equilibrated both at 250K. Now I need to bring them together in a way that an adhesive bond is created....

01 March 2021 3,325 2 View

Why might my GFP tag be dissociating from my plasmid after transfection?

I have a set of stably transfected cell lines all transfected with plasmids containing GFP tags on the C terminus. During a western blot using anti-GFP antibody, one of my plasmids has dissociated...

01 March 2021 9,310 4 View

Precipitate after adding laemmli buffer to protein solution containing Potassium Acetate?

Hi, I am running a size exclusion chromatography experiment with a buffer containing Potassium Acetate as a salt. I analyse these fractions through SDS-PAGE. After boiling my SEC fractions in...

01 March 2021 2,622 3 View

What is the most suitable server for predicting protein structures in bacteria?

I have used the i-Tasser several times, however it has been unavailable for several days. I tried the swiss-model, but the output was not very pleasant due to the model used. Is there any other...

28 February 2021 4,521 3 View

Do you need the CMV enhancer before the CMV promotor for a proper function of CMV on the gene that follows?

I'm a student and I have to produce a cell line with a knockin for the NRF2 gene with GFP. I have to put a promotor in front of the GFP because the gene will be too far away from the promotor of...

28 February 2021 7,127 2 View

Are protein samples in SDS compatible with ELISA?

I have used an AllPrep DNA/RNA/Protein Mini Kit QIAGEN kit to extract RNA and protein from my samples. At the end of the protein purification, I resuspend my protein in 5% SDS. Will these samples...

28 February 2021 7,370 3 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

How to replicate the well conditions of a crystal hit with 20%(w/v) isopropanol?

I had a crystal hit in a well with 0.1M HEPEs pH 7.5, 10%(w/v) PEG 4000, and 20%(w/v) isopropanol. Why is isopropanol in w/v here if it's just solvent? How do I recreate this well condition?

25 February 2021 9,761 1 View

Problem with ligating 2.8 kb insert into 8.5 kb plasmid?

I am trying to clone 2 copies of the same mammalian gene into the pSF-CMV-Ub-Puro Ascl (contains HindIII, KpnI and NheI cut sites) plasmid. This is what the final product is supposed to look like...

24 February 2021 6,310 3 View

Mayur Mukhi

If you are designing an inhibitor, then you would like your inhibitor to form bonds with the key catalytic residues of your protein. This is how protein-ligand interactions would help in such a case.

Noer Komari

1. You can see the type of bond, hydrogen bond or hydrofobic bond or others

2. You can see the distance or length of the bond