9 Questions 16 Answers 0 Followers
Questions related from Seshank Mutya
I am getting an error in xleap module of Ambertools 14 in which it is unable to find leaprc nor anyother file i added to respective folders as said in this tutorial...
22 February 2016 3,286 2 View
I have run a 10ns molecukar dynamic simulation and now want to superimpose my protein at different nanosecond range so that i can compare my ligand moment. Pls suggest me a way to align all...
03 September 2015 7,613 5 View
i am a newbie to gromacs(molecular dynamics software), please help me out. i compiled gromacs 5.0.2 for mac and successfully done installing it. But when i checked the following command mdrun...
30 June 2015 1,584 3 View
I have performed series of modelling experiments using modeller to get a series of modeller proteins. But here i am unable to produce models with good GA341 score. I have a hundred percent match...
16 March 2015 5,643 8 View
I am performing docking with a single protein and various ligands. So should I be performing autogrid each and every time and for each and every ligand? It just seems not so meaningful. For me as...
15 March 2015 3,842 6 View
I have completed the tutorial successfully to 3rd script. Then later when I was running my fourth script this error pops up saying “IOError; pdbnam______E> Filename for PDB code not found:...
14 March 2015 1,053 6 View
I have recently docked molecules in AutoDock Vina and to my surprize Vina produces only binding affinity scores and nothing else. Hence any way to get Ki values from Vina scores (any additional...
25 February 2015 541 11 View
I have attached an image and want to know what does the colour of spheres indicate ( for example the red sphere) and what probable things should I be searching while analyzing my results. Explain...
17 February 2015 908 6 View
Quite a confusing concept to what i know of melatonin induced GABAergic resonse. I found this in the following paper "Antiepileptic activity of melatonin in guinea pigs with...
17 February 2015 4,894 2 View
