PyRx - Virtual Screening Tool | Multiple Ligand Docking | Lecture 42 | Dr. Muhammad Naveed

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  • Опубліковано 18 лис 2024

КОМЕНТАРІ • 81

  • @lifesciencewithhussain
    @lifesciencewithhussain Рік тому +4

    Thanks, Sir you are the only one who I understand and learn much more than what teaches us in university. May Allah bless you with long and prosperous life along with your family.

  • @surajjoshi3612
    @surajjoshi3612 3 роки тому

    1.Text mining
    2. Machine learning model by using random tree classifier
    3. X-score software for redocking
    4. Drug like profile by faf drug 3
    5. Anticancer efficacy by using CDRUG server
    6. Median Lethal dose (LD50) of the screened phytochemicals using GUSAR online server
    7. Pharmacophores of the screened phytochemicals using pharmaGist webserver
    8. UCSF chimera
    9. Chemdraw
    10. Lig plot+ for protein ligand interaction and Ligprep also
    Sir please ab pyrx ke baad inko aap bata dijiyega, aapse better koi nahi samjha sakta hai.....
    You are the super hero for all research scholars.... 😍😍

  • @surajjoshi3612
    @surajjoshi3612 3 роки тому

    I am very happy sir now I will get to learn more new things from you..may Allah bless you always and give you a long life

  • @surajjoshi3612
    @surajjoshi3612 3 роки тому

    1. Identification of plants by text mining
    2. Machine learning model development
    3. X- score software for redocking
    4. Anticancer efficacy for CDRUG online server
    5. Pharmacophores of the screened phytochemicals by using PharmaGist online server
    6. Drug like profile using Faf Drug 3 server
    7. Median Lethal Dose (LD50) of the screened phytochemicals using GUSAR online server
    8. UCSF chimera
    9. Lig plus+ for ligand protein interaction, and Ligprep
    Sir inpe bhi bna dijiye videos

  • @mohammadabdullah8584
    @mohammadabdullah8584 2 роки тому +1

    Thanks for this lecture, your platform is always reliable and quick to understand. Sir kindly clarify that ligands that you are using in Pyrx are 3d (SDF) format or PDB format?

  • @anisaaina4067
    @anisaaina4067 6 місяців тому

    Sir really great. Sir kindly tell, how can we dock in the presence of metal in active site? like iron

  • @surajjoshi3612
    @surajjoshi3612 3 роки тому

    I am very happy , thank you so much sir.... Great great

  • @job506
    @job506 10 місяців тому

    Many thanks. When I wanted to Make Macrolecule, a dialog box on alternte conformation poppoed up and I also got this error: AttributeError: member babel_type not found. What should I do?

  • @johirislam8174
    @johirislam8174 Рік тому

    how can we understand which chain of the protein are optimum for docking. As there are five chain that you have shown in this video and you remove randomly 4 accept chain A

  • @madhurjyabiswas6445
    @madhurjyabiswas6445 Рік тому

    sir many many thanks for this lecture

  • @sanjaisrao484
    @sanjaisrao484 2 роки тому +3

    Sir please tell how to enter my xyz coordinates in pyrx for my gridbox

    • @Prof.Dr.MuhammadNaveed
      @Prof.Dr.MuhammadNaveed  2 роки тому +2

      do find from autodock vina or watch my lecture on it

    • @sanjaisrao484
      @sanjaisrao484 2 роки тому +2

      @@Prof.Dr.MuhammadNaveed Sir thanks for replying, U are doing a great job of clarifying doubts in comments,most of them don't do this, So only sir u are the best bioinformatics teacher in youtube
      Your videos also are not that long , I learned many things from u sir thank you

  • @minhajashraf8372
    @minhajashraf8372 Рік тому

    sir i am facing this issue in pyrx.
    Traceback (most recent call last):
    File "C:\Program Files (x86)\PyRx\lib\site-packages\PyRx\molNavigator.py", line 636, in OnRightUp
    if hasattr(node.allAtoms[0].assembly, 'lineActor') and node.allAtoms[0].assembly.lineActor.GetVisibility():
    File "C:\Program Files (x86)\PyRx\lib\UserList.py", line 31, in __getitem__
    def __getitem__(self, i): return self.data[i]
    IndexError: list index out of range
    kindly help me

  • @sandhyaupadhyay5634
    @sandhyaupadhyay5634 Рік тому

    sir does pyrx is feasible for metal docking? if so, how can I correct my atom syntax.

  • @sumayyaumair5505
    @sumayyaumair5505 2 роки тому

    I have question I seen some tutorial they use cmd promat for generation of different poses but u have not use this is it necessary or not please explain

  • @SufyanKhan-qv4js
    @SufyanKhan-qv4js 2 роки тому

    AOA sir how are you? Sir, what about if one of our ligand downloaded from PubChem has only a 2D structure and the rest of our ligands of interest has a 3D structure so can we still proceed with docking by pyrx?

  • @madhuripagare7523
    @madhuripagare7523 5 місяців тому

    Sir, how to multiple docking in Autodock 4 software?

  • @muzamilshah1262
    @muzamilshah1262 3 місяці тому

    Salam sir
    Sir kia hum crude extract ka molecular docking kr sakty hain? Please Bata den torha details mai

  • @surajjoshi3612
    @surajjoshi3612 3 роки тому

    Thank you sir, Now please tell me all these techniques, I will be grateful to you for the rest of my life.

  • @dipanjankarati7208
    @dipanjankarati7208 Рік тому

    Sir, when i am going to load protein then they are showing that "protein.pdbqt file not found in C:\user\karat\mgltools\pyrex\dekstop\macromolecules

  • @rabiadhamyal3586
    @rabiadhamyal3586 2 роки тому

    Sir can people with Ms industrial biotechnology apply for lectureship in biology???

  • @roughcooking
    @roughcooking 2 роки тому

    If we want dock 100 molecules thenhow can we select one by one? Solve the issue sir

  • @anusharma2074
    @anusharma2074 10 місяців тому

    Very informative

  • @surajitsarker8950
    @surajitsarker8950 3 роки тому

    Sir your tutorial is indeed very fantastic. But I am facing difficulty since my ligand contains a BORON atom that is not defined within PyRx. Can u guide me how to do the Parameterization of the unknown "Boron" atom in PyRx. It would be very helpful 🙏.

  • @moazzamaibrahim6716
    @moazzamaibrahim6716 3 роки тому +1

    Most awaited video, thank you so much sir. 😇

  • @birdsworld570
    @birdsworld570 2 роки тому

    How to custom set grid in PyRx? It seems automatic

  • @professorswenson3504
    @professorswenson3504 5 місяців тому

    Don't the ligands need to be prepared such as their charges?

  • @fatimanoor5424
    @fatimanoor5424 3 роки тому

    👍..... Sir kindly milsoft docker k bary mey b video bnay inhi Dino mey ...

  • @ajyui847
    @ajyui847 Рік тому

    I can't save sdf file from the docking results , it saves only 3 , what could be the problem?

  • @agurokpondaniel3792
    @agurokpondaniel3792 Рік тому

    Is blind docking really good?

  • @raidanazmul6225
    @raidanazmul6225 2 роки тому

    How to get the ligands or how can I download ligands?

  • @srikamalesh2402
    @srikamalesh2402 2 роки тому

    Hello sir I have a problem to convert the protein to macro molecule it showing error I am using 1US0 pdb help me to rectify my problem thank in advance

  • @BioinformaticsWANA
    @BioinformaticsWANA 3 роки тому

    Thank you sir very informative and helpful. Kindly sir plz make a tutorial on SHesis and plink software as well. How to use that? Thanks

  • @haithamal-madhagi7769
    @haithamal-madhagi7769 2 роки тому

    Thanks sir for the tutorial. I am facing a problem related to the inability to open preferences tab (immediately an error is showing).
    Besides, the receptor cannot be converted to PDBQT, error is showing.
    Please help me.

  • @haniabaig6090
    @haniabaig6090 2 роки тому

    sir kindly tell me how to resolve insufficient memory issue in pyrx?

  • @lfmbysuro
    @lfmbysuro Рік тому

    Namaste. From India, can you sir help me to download this in MacBook?

  • @dhruvaagarwal2326
    @dhruvaagarwal2326 2 роки тому

    sir i am getting same error as yours that dialog box that opened up. and in last it shows me the error that.pdbqt file not found

  • @atharvaparve1458
    @atharvaparve1458 Місяць тому

    Thank you sir

  • @iqrahasan9114
    @iqrahasan9114 4 місяці тому

    kya iske baad bhi docking ka koi step h ya is m final result bhi btaya h aapne

  • @deepikayande4555
    @deepikayande4555 Рік тому

    Sir how to select multiple protein?

  • @amarkar11
    @amarkar11 2 роки тому

    Can you tell me how to install pyrx in Ubuntu linux?

  • @afsanaaz3268
    @afsanaaz3268 2 роки тому

    Thanku so much sir,

  • @khaledbhuiyan5159
    @khaledbhuiyan5159 3 роки тому

    Sir please make a video on NGS de novo assembly . Watching ur video from Bangladesh .

  • @ResearchersZone
    @ResearchersZone 2 місяці тому

    Sir thank you soo much

  • @AmirAli-gf1fc
    @AmirAli-gf1fc 5 місяців тому

    How i know that the ligand act as agonist or antagonist?

    • @asmamakhdoom6596
      @asmamakhdoom6596 Місяць тому

      You'll have to check databases or literature

  • @muhammadabraryousaf1062
    @muhammadabraryousaf1062 3 роки тому

    Dear Sir, Kindly make a video on MOE software

  • @surajjoshi3612
    @surajjoshi3612 3 роки тому

    Sir plz next video x- score docking revalidate software pe bana dijiye plz sir

  • @shakilcuchem
    @shakilcuchem 2 роки тому

    From bangladesh

  • @markadu7204
    @markadu7204 2 роки тому +1

    can you speak English?. Your presentation is good but you are only speaking to those that understand your language. At least let there be a subtitle.

  • @shaindatyagi464
    @shaindatyagi464 11 днів тому

    Hlo sir

  • @carinapeters440
    @carinapeters440 Рік тому

    Lol its just docking not virtual secrening