Saravanan Parameswaran

5 Questions 30 Answers 0 Followers

Questions related from Saravanan Parameswaran

Modelling a tetramer from Pentameric NMR structure

I am working on a protein whose structure is determined from NMR and its in pentameric state. We believe that It should exist as tetramer in real life. Is it possible to model the tetramer from ...

18 July 2017 4,105 5 View

Is there a single conformation option in Dockres?

I am using Dockres to summarize my virtual screening results. Dockres is helpful for my analysis. I have a query regarding using a single conformation (especially best conformation (lowest...

01 August 2013 1,789 0 View

How to write the best conformation (low energy complex) from the largest cluster using script (python) from the dlg file while running AutoDock?

Using AutoDock, I have carried out virtual screening of approx. 20,000 molecules against the drug target of my interest. I have sorted out the molecules according to the predicted binding affinity...

18 July 2013 8,682 10 View

A tool to find preferable modification of functional groups of molecule of interest for drug target of interest, or maybe improved PK/PD properties.

A query on the structure-activity studies. Could you suggest me ideas/concept/tools to do the modification of functional groups of molecule of interest for drug target of interest, or ma be based...

28 May 2013 9,432 1 View

How to convert a .jar file into HTML file?

I have created a .jar file using jalview web application, I want to save it in HTML file for further analysis and discussion. Is it possible to convert .jar file in html?

13 May 2013 7,160 2 View