วีดีโอ

How to continue the discontinued MD simulation?

On which basis select salt for solvation.For all complexes NaCl or other salt options.Any guide there.

Hello Sir, please make video trail for Peptise Peptide MD simulations on Gromacs please, there is no a single video tutorial on youtube for Such MD Simulations . Thanks

how to get this excel sheet by using chemdes i got different 3d descriptors i didnt got log p and this values

Very great and Clear explanation

These are ligand based and target based

Burning question please. Hello, I have a lawn seeds (turf type tall fescue seeds) supposedly that has endophytes. And, I have a Kentucky Bluegrass on my existing lawn. Will it kill the Kentucky Bluegrass if I over-seed it with the seeds that has endophytes? Thank you

mam how u had prepared descriptor file for generating equation.

hi sir, i am sorry. If we did triplicate md simulation. How to make an average graph of triplicate md simulation in xmgrace? Thank you Sir!

Hello Prof. Madam, please kindly assist me with some software on how to start QSAR modeling studies. Thanks

This software is not available

Thanks for sharing the information Please share the tutorial file.

where can we download build QSAR software?

Thank you very much. Excellent lecture.

"Mn parameter is not in database" what to do???

how can I get the buildQSAR

great job sir

C. No. 111 kallode

Please can anyone Shere this software

Thank you for the great lecture! I could roughly understand the QSAR method through this:)

Excellent

Thankyou sir, to explain this concept so clearly. But sir are we removing the water molecules from the proteins? If yes/ no why with a supporting statement. Can you please explain this.

explanation of the contents of each mdp file is necessary. If we can't see or understand the mdp files,we can't modify the files. Explanation of mdp files is higly appreciable.

Fatal error: The residues in the chain MET1--NI602 do not have a consistent type. The first residue has type 'Protein', while residue KCX219 is of type 'Other'. Either there is a mistake in your chain, or it includes nonstandard residue names that have not yet been added to the residuetypes.dat file in the GROMACS does anyone know how to solve this?

Thank you very much for detailed explanation sir. It is really useful to the Carriers of whoever listened carefully. Thanks once again

I appreciate your efforts but this more are like technical presentation "click this , click that" . This would have been more interesting if you could have explain the subject behind each commands and arguments.

I need BuildQSAR tool .Thank You

Sir can we docked two target site for same disease by single ligand? Sir suppose x naam kaa ek ligand h jo A naam ke target site ko inhibit krra ho , phir suppose wahi x naam kaa ligand B naam ke target site ko inhibit krra ho, to sir kya hum ek saath A ligand ko dono target site(A and B) pe ek he saath docking kra skte h..... Multiple target site docking.... Sir plz doubt clear kar dijiye Agar kar sakte hain to kese ? Nahi kar sakte hain to kyu ni kr sakte?

very good explanation. It make me clear some points. Thank you very much

Sir, thank you so much for the video. Helps a lot. I had a doubt sir. When we prepare the protein for docking, using perhaps Autodock and MGL tools, we usually add hydrogen (polar) and charges while saving it as a pdbqt file. Is that not required for docking?

how we get all 5 important file mdp.itp etc files

if you are keeping the same pH as its's isoelectring point ,then it will precipitate in experimental condition ?!!!

Good morning Sir. This is very nice tutorial. Could you please make a video on Replica Exchange MD in Gromacs from the scratch. Thank you

these workshops are very helpful, they helped a lot in my research process. thank you so much!!!

Sankeerthana 2000 119

Informative session sir🙏🏽

hello Madam, amazing webinar, kindly provide information how and from where to download BuildQSAR tool. Thank you

Would highly appreciate a tutorial for md simulation of protein-ligand complex.

Very informative sir, thanks for uploading it in youtube and made it available for everyone who are willing to learn more about computational studies 😀😊

please send me E-Workshop documents that were sent for the webinar. Thanks in advance (showed in the video at 37.09 time

Thanku for uploading

Good. Very smoothly explained...

Thank you.. this give me opportunity to rewatch it again. May God bless you!

👌👌👌

thank you for important e-workshop, from Algeria

Thank you sir..very useful

Thank you..Useful

Thanks for sharing knowledge.

Fatal error: Group CNT referenced in the .mdp file was not found in the index file. Group names must match either [moleculetype] names or custom index group names, in which case you must supply an index file to the '-n' option of grompp. In my topol.top file, the [moleculetype] names is CNT, why did this error happen? What is the index file? I have attached the npt.mdp file. Can anybody help me?

Thanks for uploading the recordings!!!!! The sessions were really good and I wanted to have them to review later! thanks a lot!