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Protein-ligand docking with AutoDock Vina and UCSF Chimera

  Рет қаралды 22,338

Shayon Bhattacharya

Shayon Bhattacharya

3 жыл бұрын

The tutorial will guide you through the step-by-step procedure to dock a small molecule ligand amino acid (L-Asp) to a protein receptor (AspRS) by using AutoDock Vina integrated with Chimera. Model system: Aspartyl-tRNA-synthetase.

Пікірлер: 16
@tagscientist
@tagscientist Жыл бұрын
Having laboured through 3 other YT tutorials on this exact same topic, I can say this is far and away the best tutorial. I am left wondering if the other presenters actually knew what they were talking about. This tutorial is authoritative, straightforward and well presented - excellent stuff. Thank you.
@zishuocheng3682
@zishuocheng3682 3 жыл бұрын
It is informative and very easy to follow. Thanks
@DrSam-qe1sk
@DrSam-qe1sk 2 жыл бұрын
Very informative lecture.
@BharathKumar-mu1dy
@BharathKumar-mu1dy 3 жыл бұрын
Very well explained sir.
@professorswenson3504
@professorswenson3504 2 ай бұрын
How do you know what net charge to add to the ligand during preparation? Should it always be 0? For example, I have downloaded ATP from PubChem. It has several deprotonated phosphate groups, do I need to specify in Chimera the negative3 charge? Thank you!
@ikponwmosaobaseki3645
@ikponwmosaobaseki3645 3 жыл бұрын
nice
@hanstsahnang4533
@hanstsahnang4533 2 жыл бұрын
Thanks very much for this tutorial professor. Please Sir after doing redocking, if your ligand aligns with the cocrystallised ligand but doesn't have a good RMSd value which parameters can you modify to have a perfect alignment which will lead to a good RMSd value? Thanks
@sikhaborah5090
@sikhaborah5090 3 ай бұрын
Sir why I can't paste the smiles from pubchem to ucsf chimera
@hanstsahnang4533
@hanstsahnang4533 3 жыл бұрын
thanks for this tutorial. can tell how to calculate RMSD value of redocked complex ? if when calculating rmsd value you get a value lower than 1 say 0.235 is it bad for a docking experiment?
@ajagunebelejoan3164
@ajagunebelejoan3164 Жыл бұрын
Thank you. Please how can I get my binding site for command prompt
@suyashsawale9508
@suyashsawale9508 Жыл бұрын
There is an error shown - [Error 13] permission denied: complex.pdbqt. How to rectify???
@sarika1122
@sarika1122 2 жыл бұрын
How download auto dock vina.last step auto dock does no work.for window 10
@ItsSAAL
@ItsSAAL 5 ай бұрын
I love you
@vernonvest5104
@vernonvest5104 2 жыл бұрын
hello sir, I am using MacBook Air M1 which MGL tools is not available, can I use UCSF chimera as an alternative for MGL tools?
@amandalaseke7523
@amandalaseke7523 2 жыл бұрын
I am also struggling to do docking with a Mac
@GODislove777trustGOD
@GODislove777trustGOD 2 жыл бұрын
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