when you uploaded the target molecule that is 1A28 which has it's ligand already inside its active site , don't you think the active site which is already preoccupied by it's cognate ligand will give accurate docking? if it is so, how to remove the ligand from the crystal structure of the pdb file ?
Hello, some authors generally thinks a score below -32 is regarded as a good docking score. How much score is considered as trustworthy for Mcule? Let’s say -4.5 and lower. Or is there and equivalency to other docking software score,, let’s say MolDock, Autolock, etc? Thanks
Very helpful! Still find docking complicated, but good start
Sea of thanks for the video!And yes, you have a magic voice, really mood raises when watch tutorials.
wow ~ I watch some your videos about DFT computation before, And I am glad that u also do CADD :)
Come back! We miss your excellent videos!
when you uploaded the target molecule that is 1A28 which has it's ligand already inside its active site , don't you think the active site which is already preoccupied by it's cognate ligand will give accurate docking? if it is so, how to remove the ligand from the crystal structure of the pdb file ?
Same doubt
Great and very clear presentation. Can you do one in autodock, please
Wow, this is what I need. Thanks a lot.
Thanks. When uploading the protein when I click n advanced options how could I fill the blanks please, will it give better results?
Hello, some authors generally thinks a score below -32 is regarded as a good docking score. How much score is considered as trustworthy for Mcule? Let’s say -4.5 and lower. Or is there and equivalency to other docking software score,, let’s say MolDock, Autolock, etc?
Thanks
I can't find your next video on docking can you send the link, please
how can I make docking with oligosaccharides and vitamins, please help me? thanks
How does one get the crystal structure?
thanks alot
nice , go a head
Thank you
Thank you.
What happened??!! Where is the next video???? 😢😢
Can you do a video on Autodock? I appreciate your videos :)