Akhil Kumar

7 Questions 20 Answers 0 Followers

Questions related from Akhil Kumar

How can I install ProDy?

I want to do normal mode analysis through ProDy i am not able to install on window platform please provide me step bu step method to install ProDy. I have tried website method it is not working in...

04 April 2016 9,685 5 View

Can anyone help with molecular dynamics of amyloid fibril?

I am doing MD of amyloid fibril pdb in 2BEG with gromos 56 force filled for 20 ns. When I visualize in pymol in my simulation after 15 ns one or two chain dissociate from the protein and come...

02 February 2014 7,676 4 View

Any advice for the simultaneous simulation of multiple ligands?

I have used blind docking (as binding site is not clear) approach to my target protein and finally I have clustered the poses. We have a ligand bind to 3 probable binding sites and have already...

01 January 2014 932 3 View

I am not able to understand this comment about docking - can anyone help?

The description of the docking results was limited. They showed results for only one docked pose for each of the four compounds. What was the basis for selecting this one pose? Often single poses...

12 December 2013 5,702 2 View

Retrieval of specific metal binding protein sequence?

I want specific cadmium binding protein sequence and then MSA, I am not able to retrieve cadmium binding specific protein sequence so I can get motif for cadmium.

09 September 2013 506 2 View

Workstation recommendations.

I want to buy a workstation for bio molecules simulation for minimum of 100ns. Can any one suggest the best configuration? xenon E5 1650, 3.02 Ghz,12 Mb cache, 12 GB of Sata RAM, DDR3, NVIDA...

04 April 2013 5,620 4 View

What will be the correct Descriptor for 2D QSAR 3D QSAR. How to use Genetic Function Approximation in selecting descriptor?

2d qsar 3d qsar.

03 March 2013 4,109 7 View