Aditi Joshi

5 Questions 8 Answers 0 Followers

Questions related from Aditi Joshi

How do I decide about the autodock binding energy and R-S-face of ligand?

I am working with Short chain Alcohol dehydrogenase(R-ADH) for converting ketones to alcohols. The reaction mechanism is that the enzyme accepts the ligand, such that its S-face faces towards the...

03 March 2015 3,485 7 View

Can anyone help with a query related modeller?

I have a template 1ZK4 and query R-ADH of brevis. I was able to do modelling using modeller with cofactor NADP. But when i tried to add water I observe that the alignment between template and...

05 May 2014 6,745 4 View

Query related to Modeller 9.13- Can anyone help?

I don't have any idea about Python programming and i have recently started using Modeller. I have used the scripts that are present on the modeller site. I am able to successfully run the first...

04 April 2014 4,258 5 View

Can anyone help with PyMol?

I have docked structure, different conformations from autodock, but I am not able to get how to visualize those docked structure in PyMol. Since many literature mention this but am unable to do so...

03 March 2014 4,735 6 View

Error while running the autogrid4 for docking - any thoughts?

I have a protein with PDB (1ZK4), it obtains NADP as ligand in its structure when I tried to dock it, I faced error while creating the PDBQT file for this protein in AutoDock :Error: "Non-integral...

03 March 2014 4,407 3 View