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AutoDock Tutorial || Molecular Docking || Best and Easy Way ||

  Рет қаралды 82,347

OrganoMed

OrganoMed

Күн бұрын

Пікірлер: 342
@ferb.3045
@ferb.3045 3 жыл бұрын
OMG thank you so much this has solve the problems I´ve been having for a month!!!! you are amazing
@organomed
@organomed 3 жыл бұрын
I am really happy to listen that this video is solving your problems.
@ferb.3045
@ferb.3045 3 жыл бұрын
@@organomed you are also a great teacher so that helps too
@organomed
@organomed 3 жыл бұрын
@@ferb.3045 Thanks
@aqsamuzammil7791
@aqsamuzammil7791 3 жыл бұрын
Finally, I understand Autodock after this tutorial..... Before that, I have tried at least 5 different tutorials on youtube. YOU ARE AWESOME
@organomed
@organomed 3 жыл бұрын
Thank you
@shivamdixit5304
@shivamdixit5304 13 күн бұрын
Can u help me please
@apoorvalongtin
@apoorvalongtin 3 жыл бұрын
UPDATED comment: Your video has it so easy. I struggled for months to find a video like this! Thank you for the help and for this great video! I would share this video! Thanks xx
@organomed
@organomed 3 жыл бұрын
Glad to hear it!
@nwnikhil9712
@nwnikhil9712 Ай бұрын
Thank you so much for making this video I am watching it after 3 years and it is very helpful for me
@yaseenjanalchemist8026
@yaseenjanalchemist8026 2 жыл бұрын
This is the new aspirant of docking learner sooo I hope that I’ll learn more from you inshallah
@swaritagopal8722
@swaritagopal8722 3 жыл бұрын
Thanks a ton. I was really struggling with the last step. Excellent way to clear for someone new in this field.
@organomed
@organomed 3 жыл бұрын
Pleasure to hear it!
@sharpgrin4345
@sharpgrin4345 3 жыл бұрын
This beautiful and smart lady has helped me so much. God bless you
@organomed
@organomed 3 жыл бұрын
Glad it helped you!
@azizarahman8525
@azizarahman8525 3 жыл бұрын
The only tutorial that proved helpful! TYSM
@organomed
@organomed 3 жыл бұрын
Glad it helped you!
@peter_dockit
@peter_dockit Ай бұрын
This is the best video have ever seen about docking
@chem412
@chem412 2 жыл бұрын
Thank you so much for clearing the concept. I have watched so many videos but I got the final result of docking with the help of this video only.
@barshapaul8344
@barshapaul8344 4 жыл бұрын
You are just growing amazing day by day❤❤.. best wishes...
@organomed
@organomed 3 жыл бұрын
Thank you so much 😀
@user-zb4sj2lv3n
@user-zb4sj2lv3n 8 ай бұрын
Its really well detailed and clarified regarding steps to steps of auto docking right from the downloading the softwares to finally building a molecule. 😮❤❤❤❤
@hana_koo99
@hana_koo99 2 жыл бұрын
Thank you for making this tutorial, I've completed all the steps and get the results! Thank you so much 💛
@safaeerraouan2861
@safaeerraouan2861 6 ай бұрын
Hello, when i click to Run, i have an error message like the grid can't find my folder docking, can u help me please
@ruchisingh2177
@ruchisingh2177 3 жыл бұрын
Thanku so much for this video ..I was having lot of problems earlier ..but the way u mentioned every details so nicely .. thanks
@organomed
@organomed 3 жыл бұрын
My pleasure!
@radhikasharma4228
@radhikasharma4228 3 ай бұрын
Thank you so much for this video tutorial ....🤩🤗
@madhujeevan7671
@madhujeevan7671 2 жыл бұрын
Fantastic video... no words tq..
@rudraacharya4061
@rudraacharya4061 2 жыл бұрын
You explained each and every step so well, it cleared most of my doubts regarding autodock Thank you for that.😇
@hamzaallal1867
@hamzaallal1867 3 жыл бұрын
Thank you very much, i learned a lot of very important things. I visualized all your Videos, which I left a like for all the videos. Thank you and a thousand thanks.
@organomed
@organomed 3 жыл бұрын
Glad it is helpful! Happy to hear it.
@dhwanipatel7626
@dhwanipatel7626 11 ай бұрын
Thank you so much for such a great video on molecular docking. Each step is explained so well and it has become so easy to do. Once again thank you 😇
@hanstsahnang4533
@hanstsahnang4533 2 жыл бұрын
I'm happy to come across this tutorial it's a blessing.
@noursh6783
@noursh6783 2 жыл бұрын
thank you so much, very helpful much appreciated.
@dhwanipatel7626
@dhwanipatel7626 11 ай бұрын
Thank you I really got the results... 😄🎉. Once again thank you Mam for helping us
@jaidevgollakota1833
@jaidevgollakota1833 3 жыл бұрын
Thank you so much! This is the best explanation out there. Really helped me.
@organomed
@organomed 3 жыл бұрын
Glad it helped!
@lifeinsequence
@lifeinsequence Жыл бұрын
Solved all my issues. Thank you so much!!
@great2395
@great2395 2 жыл бұрын
You made my day and i had the first successful docking output. Thanks for your great contribution!!! The least I can do is subscribe and subscribe and ...like!
@rashmisharma_2639
@rashmisharma_2639 4 ай бұрын
Thanks a lot mam...for your so detailed video❤❤
@nandkishorbawage5343
@nandkishorbawage5343 3 жыл бұрын
Thank you. Your efforts are appreciable
@kapildangi9312
@kapildangi9312 Жыл бұрын
Thankyou very much. 🙏🏼🙏🏼
@yaseenjanalchemist8026
@yaseenjanalchemist8026 2 жыл бұрын
Your video is 42 minutes but I took 42 hours to watch it again and again while working
@dr.mzsiddiqi8002
@dr.mzsiddiqi8002 2 жыл бұрын
Awesome, it was so nice and easy to understand. big appreciation and thanks to you for such easy video
@resinwithlove
@resinwithlove 2 жыл бұрын
Thank you so much ma'am for this. ❤️ how beautifully you explain each steps.
@ushasingh9944
@ushasingh9944 2 жыл бұрын
Excellent organmed it can make possible by you only thank you so much
@aritrabiswas2268
@aritrabiswas2268 2 жыл бұрын
Explained in a very lucid way.
@sharanyapaul9819
@sharanyapaul9819 2 жыл бұрын
Hi, I am not able to save the file in pdbqt format. I tried several times and continuously it is getting saved as pdb file. Any suggestions?
@dhanudhanunjay7652
@dhanudhanunjay7652 3 жыл бұрын
your video is very nice and so easy to understand, please make video to docking metal coordinated complexes by using same tool
@athirat4021
@athirat4021 3 жыл бұрын
Thank you so much, a very good video and nice presentation.
@organomed
@organomed 3 жыл бұрын
Thank you
@powervoice5348
@powervoice5348 3 жыл бұрын
Thank you madam little faster u explained .
@aravindnesaragi3980
@aravindnesaragi3980 3 жыл бұрын
Really a helpful video...clearly explained all the steps, thaks a lot.... is it possible for u to show docking with organic molecules?
@meenublossom6860
@meenublossom6860 3 жыл бұрын
Hello.. Very nice.. ❤️Thank you😘👍 But how we can analyze docking results... I mean how we can dock the ligand to protein and see their interaction. Please explain 🙏
@organomed
@organomed 3 жыл бұрын
kzfaq.info/get/bejne/Y7tymaeilsrHiYU.html Check it out!
@meenublossom6860
@meenublossom6860 3 жыл бұрын
@@organomed Once again Thank you so much ❤️🙏
@organomed
@organomed 3 жыл бұрын
Most welcome
@prachijain-c2i
@prachijain-c2i Ай бұрын
Your videos are very good. I am getting error of bad window path name when I run autodock..what to do
@yaseenjanalchemist8026
@yaseenjanalchemist8026 2 жыл бұрын
Subscribed with much love and interest and enthusiasm
@ankitachetia5129
@ankitachetia5129 Жыл бұрын
Thank you so much ❤️
@datloan4062
@datloan4062 2 жыл бұрын
Thank for your video! however, I found that your reference RMSD values were very high compared to those of RMSD values, respectively. Is there any problem??
@farahnatela732
@farahnatela732 Жыл бұрын
Thank you for the interesting video, but might I ask, went come to the grid box it has specific value or just adjust until it fully covered the protein (for the blind docking)? Hope you can answer, thank you
@ayeshafawad-px3qo
@ayeshafawad-px3qo 6 ай бұрын
Dear ur videos r v much helping Plx make videos on simulation of docked complexes using Amber
@purvakhodke4386
@purvakhodke4386 Жыл бұрын
Thankyou so much...loved this tutorial
@NourElyakineamraoui-wf5wy
@NourElyakineamraoui-wf5wy 8 ай бұрын
thank you very much for this video
@pallavisangle4787
@pallavisangle4787 3 жыл бұрын
How to find many ligand molecule are attached to a specific protein?? Is there any steps to determine..for ligand protein attachement?? Plss..help me mam...
@organomed
@organomed 3 жыл бұрын
You can visualize other ligands attached to protein using Discovery Studio.. For that you can check my AutoDock Vina Tutorial
@deepah.k1537
@deepah.k1537 13 күн бұрын
Excellent!!!!!
@sharanbiradar8925
@sharanbiradar8925 5 ай бұрын
Very informative mam
@mufaspismail9885
@mufaspismail9885 Жыл бұрын
Thank you
@SolomonMakanjuola
@SolomonMakanjuola 10 ай бұрын
Thank you for this video
@gaazijavaid
@gaazijavaid Жыл бұрын
This video was very helpful. Why does not ligand and protein files show up in the single folder. I save them on desktop but while choosing the file they do not show up as well.
@ogunoluwamayowa4749
@ogunoluwamayowa4749 3 жыл бұрын
Awesome tutorial, thank you so much
@organomed
@organomed 3 жыл бұрын
Welcome
@rickyseldon9031
@rickyseldon9031 3 жыл бұрын
when i run the autogrid4.exe, and launch the dialogue box, the error in the cmd prompt : "Grid data file needs the extension ".fld" for AVS input" ; keeps coming up. can you help me out with this issue, i have been trying since a few days.
@victoriamelts9956
@victoriamelts9956 8 ай бұрын
same here
@safaeerraouan2861
@safaeerraouan2861 6 ай бұрын
Same too that's not working
@krabbykat9918
@krabbykat9918 4 ай бұрын
Hello there. Your video is very helpful, but I'm stuck at the point of Run. When I launch the autogrid it doesn't not generate a GLG file in my folder and no maps either. In case its important, my vina items are also in the same folder where all docking-related stuff is. Kindly help. Thanks
@sanketkore9846
@sanketkore9846 3 жыл бұрын
Hello ma'am please tell us The energy minimization or structure optimization of ligand (i.e. drug ) isn't necessary before doing docking? when there is a need for structure minimization of ligand & why?
@organomed
@organomed 3 жыл бұрын
EM of ligand is usually performed before Docking and you can go with that.
@horanghae4649
@horanghae4649 3 жыл бұрын
Hello, your tutorial is very easy to follow, and it helps me a lot. I just wanna clarify, is the version of the autodock downloaded 4.0?
@organomed
@organomed 3 жыл бұрын
Yes.
@horanghae4649
@horanghae4649 3 жыл бұрын
@@organomed Thank you very much!
@balarampaul3897
@balarampaul3897 2 жыл бұрын
Hello , at first I want to say thanks for this video. But I have question too. My question is, "what is the procedure to make distance between protein and ligand like chimera!! ".in my grid box, both protein and ligand are present, but I think, only protein must be present in grid box
@swatisingh.
@swatisingh. 4 жыл бұрын
Thank u 😘😘😘😘 ,really appreciate ur efforts
@organomed
@organomed 3 жыл бұрын
So nice of you
@abumalik67
@abumalik67 3 жыл бұрын
thanks, excellent presentation
@organomed
@organomed 3 жыл бұрын
Thanks
@anahitbakaryan6541
@anahitbakaryan6541 Жыл бұрын
Please, explain how do docking with protein,which has Zn ion in active side(Adenosinedeaminase).
@pujabharti4781
@pujabharti4781 4 жыл бұрын
Thanku mam.... Its very helpful for us
@organomed
@organomed 3 жыл бұрын
Most welcome 😊
@mahmoudel-nouby7402
@mahmoudel-nouby7402 2 жыл бұрын
Thank you for your informative tutorial, I try to make a docking for interaction between chromatographic stationary phase and the analytes however the map and glg file did not appear Do you have any solution for this problem, please Thsnk you in advance
@Sarahbahh
@Sarahbahh 2 жыл бұрын
thank you so much it helped a lot
@rumeshnelumdeniya557
@rumeshnelumdeniya557 2 жыл бұрын
Thank you for the awsome explanation
@mba2024
@mba2024 2 жыл бұрын
Really interesting, thank you very much
@liliaadjissi4180
@liliaadjissi4180 2 жыл бұрын
Thank you so much, it's verry important
@GurpreetSingh-ic5uz
@GurpreetSingh-ic5uz 2 жыл бұрын
Grt .....I m thankful to u
@juhidutta6121
@juhidutta6121 3 ай бұрын
Thank you for the tutorial. I am not able to generate the protein.SA map which is why my docking run is not getting completed. Please tell me how to solve it. P.S. gpf file has the SA as receptor type and successfully completed forming .glg file.
@user-mk6hx8dx7p
@user-mk6hx8dx7p 10 ай бұрын
Hello, thank you for your autodock tutorial. I am curious that why we have to delete chain B at the first time in preparing protein? Also, when i try to save the ligand as the dpf. file, it doesn't save as dpf file. Thank you.
@ahmadfarizm3946
@ahmadfarizm3946 2 жыл бұрын
Thanks 4 the tutorial. But how to convert your docking result to pdb format ??
@mohitdadhich9477
@mohitdadhich9477 Жыл бұрын
Nailed it
@NourElyakineamraoui-wf5wy
@NourElyakineamraoui-wf5wy 8 ай бұрын
Thank you very much for this video, .... I carried out all steps but when I arrived at grid steps exactly "set map types " failed please, can you answer me what was the problem?
@safaeerraouan2861
@safaeerraouan2861 6 ай бұрын
i have the same problem now, can u respond pls
@heenakshichoudhary5982
@heenakshichoudhary5982 3 жыл бұрын
This video is very helpful. Thankyou. But I am not able to launch Autogrid at the end. What should I do?
@organomed
@organomed 3 жыл бұрын
Mail me the pic of your docking folder location.
@heenakshichoudhary5982
@heenakshichoudhary5982 3 жыл бұрын
@@organomed Yes, Sure
@iramhussain1710
@iramhussain1710 3 жыл бұрын
Excellent elaboration
@organomed
@organomed 3 жыл бұрын
Thank you!
@MIrfanArif
@MIrfanArif Жыл бұрын
Hello, Thanks a lot for your video. I have a couple of questions regarding docking with my protein. Please can you guide how to do docking with a heme protein like P450. I have tried, and it only works if I delete the heme and other attached groups from the protein molecule. Secondly, I have a charged ligand with a NO2 group attached to a cyclic hexane ring. The N has a +ve charge and one of the oxygen attached to the nitrogen with a single bond has a -ve charge, while the other N is double bonded to Nitrogen without any charge. How to prepare this ligand in its charged state. The software prepares pdbqt file, but docking always gives errors.
@priyankasingh1749
@priyankasingh1749 2 жыл бұрын
Thank you so much.it really helpful to me
@ReadwithFacts
@ReadwithFacts 7 ай бұрын
Hello mam..... I am doing autodock but map files are not generating and showing as ERROR: Unknown receptor type: "Na"... Add parameters for it to the parameter library first! I am not understanding where to change in the parameter library..... Pls help me. I really need your help. Pls reply..
@arijitdas8569
@arijitdas8569 2 жыл бұрын
I appreciate this tutoring - it was helpful and interesting! One thing has been reeling in my mind since last month. May I know how to dock a metal-ligand, say, Palladium oxide or any foreign metal whose parameters have to be manually included in the AD4 parameters and bound.dat files, to a receptor (protein)? Can a molecular docking tutorial be featured, regarding this?
@mdaedfr
@mdaedfr 3 жыл бұрын
Thank you so much for your useful lecture. When I run blind Auto-docking, I have face one problem, the gdl file is not complete, it only 7 pages. also when I prepare the molecule and need to save it (write options) Not involved ANISOU, which started from ATOM. I wait your reply, Many thanks
@nehabhandari7747
@nehabhandari7747 Жыл бұрын
maam my dlg file showed error and was of less kb size. thank you for the video it was really helpful.
@sourabhjain3356
@sourabhjain3356 8 ай бұрын
U have explained everything very wonderful but I m not getting how to generate Config file..
@lifesciencedecoded
@lifesciencedecoded 3 жыл бұрын
As we all know that docking simply interaction between receptor and ligand molecule, before docking we do remove the water molecule and some other additional ligands molecule , and add polar hydrogen bond also, Afer that we dock between receptor and ligand molecules, and more negative sign give the good stability.....but sir my question is that in natural condition how water and additional ligands remove from receptor molecules and how will i add polar hydrogen also?
@indukumari4407
@indukumari4407 2 жыл бұрын
Thank you very much ma'am. How we will identify one lead molecular out of 100 or 1000 or more molecules
@sandhyawasinikumari6589
@sandhyawasinikumari6589 4 жыл бұрын
Bahut sai bahut sai 🥰🥰🥰💐💐🍫🍫
@organomed
@organomed 3 жыл бұрын
thank you!
@fintouf
@fintouf 9 ай бұрын
I don't know how to thank you maam, after a month I did it, Thanks a lot
@gavinahaisibwe7952
@gavinahaisibwe7952 Жыл бұрын
I was using ozempic as my ligand against the GLP-1 receptor and i didn't have not got any results. First my ligand(ozempic) didn't show it's root. I don't know what to do
@aichakerassa8857
@aichakerassa8857 2 жыл бұрын
hi again the structure of ligand , must be optimized by another program such as hyperchem , gaussian...(this is step before docking)..or the optimisation is not obligatoire
@haydarghulam9658
@haydarghulam9658 3 жыл бұрын
hi, thanks for such an informative video. Best wishes. i m facing a problem, that .mep .glg and .dlg is formed after running the grid and docking files. pls help regarding this issue. Thanks again
@organomed
@organomed 3 жыл бұрын
Send docking folder name and location in mail with pic of issue showing on AutoDock. Email - organomed2020@gmail.com
@safaeerraouan2861
@safaeerraouan2861 6 ай бұрын
​@@organomedi have the same problem, when i put Run i have an error message like the Grid can't find the docking folder, unsuccessful
@debasissahoo5699
@debasissahoo5699 3 жыл бұрын
Very helpful
@mahamafzal8108
@mahamafzal8108 3 жыл бұрын
Please tell me is it necessary k hm pdb say structure lain..main jb pdb wali ID use krti h to mera result ni hta.. Lakin jo main ny homology modeling su structure nikala tha wo use krskti h??? Please tell me
@EM-bw7fs
@EM-bw7fs 2 жыл бұрын
Thank you verry much. Can you help me please. Why autodock vina does not generate the dlg files foor acids such as coumaric, caffeic, gallic ...etc?
@gaazijavaid
@gaazijavaid Жыл бұрын
Problem existed when I choose ligand at the grid..
@DMilannie
@DMilannie 3 жыл бұрын
Thank you very much for the tutorial, it was truly helpful! But I keep getting an error: insufficient grid points. Could you please tell me how to avoid that? Thank you.
@priyankanagu230
@priyankanagu230 3 жыл бұрын
Can we perform docking on both chains or only A chain is required?
@khanubaidurrahman8094
@khanubaidurrahman8094 3 ай бұрын
I am trying protein 2QMJ with acarbose but Docking results are not generating But for others protein the results are generated. How to dock 2QMJ with acarbose please help.
@Rome532
@Rome532 3 жыл бұрын
congratulaions you are very good
@organomed
@organomed 3 жыл бұрын
Thanks
@rajitharajithaanbu6178
@rajitharajithaanbu6178 2 жыл бұрын
Madam my protein have 5 chains is there, so I will delete 4 chains or I use 5 chains for docking?
@abdeldjebarhasnia1788
@abdeldjebarhasnia1788 3 жыл бұрын
Hi, I am trying to dock a compound which contains Copper. I got this error while performing autogrid. Can you please help me with this error : \autogrid4.exe: ERROR: unknown ligand atom type Cu add parameters for it to the parameter library first!
@organomed
@organomed 3 жыл бұрын
This is because some parameters are missed in Autodock version 4 . I will suggest you to go through this link and read properly -autodock.scripps.edu/faqs-help/faq/how-do-i-add-new-atom-types-to-autodock-4. Hope you had followed other steps properly .
@abdeldjebarhasnia1788
@abdeldjebarhasnia1788 3 жыл бұрын
@@organomed thank you a lot
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