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

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  • เผยแพร่เมื่อ 22 พ.ย. 2024

ความคิดเห็น • 81

  • @lifesciencewithhussain
    @lifesciencewithhussain ปีที่แล้ว +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 ปีที่แล้ว

    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 ปีที่แล้ว

    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

  • @surajjoshi3612
    @surajjoshi3612 3 ปีที่แล้ว

    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

  • @mohammadabdullah8584
    @mohammadabdullah8584 2 ปีที่แล้ว +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 หลายเดือนก่อน

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

  • @madhurjyabiswas6445
    @madhurjyabiswas6445 ปีที่แล้ว

    sir many many thanks for this lecture

  • @surajjoshi3612
    @surajjoshi3612 3 ปีที่แล้ว

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

  • @anusharma2074
    @anusharma2074 10 หลายเดือนก่อน

    Very informative

  • @johirislam8174
    @johirislam8174 ปีที่แล้ว

    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

  • @muzamilshah1262
    @muzamilshah1262 3 หลายเดือนก่อน

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

  • @ResearchersZone
    @ResearchersZone 2 หลายเดือนก่อน

    Sir thank you soo much

  • @atharvaparve1458
    @atharvaparve1458 หลายเดือนก่อน

    Thank you sir

  • @moazzamaibrahim6716
    @moazzamaibrahim6716 3 ปีที่แล้ว +1

    Most awaited video, thank you so much sir. 😇

  • @rabiadhamyal3586
    @rabiadhamyal3586 2 ปีที่แล้ว

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

  • @afsanaaz3268
    @afsanaaz3268 2 ปีที่แล้ว

    Thanku so much sir,

  • @madhuripagare7523
    @madhuripagare7523 5 หลายเดือนก่อน

    Sir, how to multiple docking in Autodock 4 software?

  • @sanjaisrao484
    @sanjaisrao484 2 ปีที่แล้ว +3

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

    • @Prof.Dr.MuhammadNaveed
      @Prof.Dr.MuhammadNaveed  2 ปีที่แล้ว +2

      do find from autodock vina or watch my lecture on it

    • @sanjaisrao484
      @sanjaisrao484 2 ปีที่แล้ว +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

  • @agurokpondaniel3792
    @agurokpondaniel3792 ปีที่แล้ว

    Is blind docking really good?

  • @sandhyaupadhyay5634
    @sandhyaupadhyay5634 ปีที่แล้ว

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

  • @job506
    @job506 10 หลายเดือนก่อน

    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?

  • @professorswenson3504
    @professorswenson3504 5 หลายเดือนก่อน

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

  • @surajjoshi3612
    @surajjoshi3612 3 ปีที่แล้ว

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

  • @iqrahasan9114
    @iqrahasan9114 4 หลายเดือนก่อน

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

  • @sumayyaumair5505
    @sumayyaumair5505 2 ปีที่แล้ว

    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

  • @fatimanoor5424
    @fatimanoor5424 3 ปีที่แล้ว

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

    • @zainiiBee
      @zainiiBee 3 ปีที่แล้ว

      Hey are u using molsoft ?

    • @fatimanoor5424
      @fatimanoor5424 3 ปีที่แล้ว

      @@zainiiBee
      No... It's paid software and trying for trial period..

    • @fatimanoor5424
      @fatimanoor5424 3 ปีที่แล้ว

      @@zainiiBee
      No... It's paid software and trying for trial period..

    • @Prof.Dr.MuhammadNaveed
      @Prof.Dr.MuhammadNaveed  3 ปีที่แล้ว

      noted

  • @SufyanKhan-qv4js
    @SufyanKhan-qv4js 2 ปีที่แล้ว

    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?

  • @roughcooking
    @roughcooking 2 ปีที่แล้ว

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

  • @dipanjankarati7208
    @dipanjankarati7208 ปีที่แล้ว

    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

  • @surajitsarker8950
    @surajitsarker8950 3 ปีที่แล้ว

    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 🙏.

  • @raidanazmul6225
    @raidanazmul6225 2 ปีที่แล้ว

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

  • @birdsworld570
    @birdsworld570 2 ปีที่แล้ว

    How to custom set grid in PyRx? It seems automatic

  • @haithamal-madhagi7769
    @haithamal-madhagi7769 2 ปีที่แล้ว

    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.

  • @BioinformaticsWANA
    @BioinformaticsWANA 3 ปีที่แล้ว

    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

  • @lfmbysuro
    @lfmbysuro ปีที่แล้ว

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

  • @haniabaig6090
    @haniabaig6090 2 ปีที่แล้ว

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

  • @deepikayande4555
    @deepikayande4555 ปีที่แล้ว

    Sir how to select multiple protein?

  • @ajyui847
    @ajyui847 ปีที่แล้ว

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

  • @srikamalesh2402
    @srikamalesh2402 2 ปีที่แล้ว

    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

  • @AmirAli-gf1fc
    @AmirAli-gf1fc 5 หลายเดือนก่อน

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

    • @asmamakhdoom6596
      @asmamakhdoom6596 หลายเดือนก่อน

      You'll have to check databases or literature

  • @khaledbhuiyan5159
    @khaledbhuiyan5159 3 ปีที่แล้ว

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

  • @minhajashraf8372
    @minhajashraf8372 ปีที่แล้ว

    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

  • @amarkar11
    @amarkar11 2 ปีที่แล้ว

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

  • @muhammadabraryousaf1062
    @muhammadabraryousaf1062 3 ปีที่แล้ว

    Dear Sir, Kindly make a video on MOE software

  • @dhruvaagarwal2326
    @dhruvaagarwal2326 2 ปีที่แล้ว

    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

  • @surajjoshi3612
    @surajjoshi3612 3 ปีที่แล้ว

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

  • @shakilcuchem
    @shakilcuchem 2 ปีที่แล้ว

    From bangladesh

  • @markadu7204
    @markadu7204 2 ปีที่แล้ว +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.

  • @carinapeters440
    @carinapeters440 ปีที่แล้ว

    Lol its just docking not virtual secrening

  • @shaindatyagi464
    @shaindatyagi464 15 วันที่ผ่านมา

    Hlo sir

    • @shaindatyagi464
      @shaindatyagi464 15 วันที่ผ่านมา

      Assalamualaikum sir

    • @shaindatyagi464
      @shaindatyagi464 15 วันที่ผ่านมา

      Sir please aapse ek help chahiye multiple docking se related