How to Perform Molecular Docking in 2 mins|Protein-Ligand Docking in 2 Min|Bioinformatics Tutorial

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  • Опубликовано: 3 дек 2024

Комментарии • 66

  • @bioinfoxpert
    @bioinfoxpert  3 года назад +1

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    • @zahidbashirzargar7564
      @zahidbashirzargar7564 2 года назад

      Sir ,can you please explain how we can do docking of multiple ligands at same time

  • @rikardoss
    @rikardoss Год назад +2

    Is necessary to prepare the protein? i mean, what if the pdb file have a ligand included? one should take that manually or the server makes that?. Great video also.

  • @BilalAHMAD-hf4gf
    @BilalAHMAD-hf4gf 3 года назад +3

    Very informative video. Dear Sir, Can you kindly share the video of ''How to design the 3 dimensional structure of the Ligand''?''

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

      Dear Bilal,
      Many thanks for your comment and sorry for late reply. Yes sure we will make a video about designing of 3D structure of protein.
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  • @farzadmolani7435
    @farzadmolani7435 Год назад +1

    Hi. Thanks for the video. How can someone get RMSD for each pose?

  • @thebiobuddy9595
    @thebiobuddy9595 3 года назад +1

    Excellent you saved us

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

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  • @aneelalakanwalkanwal5799
    @aneelalakanwalkanwal5799 2 года назад +1

    if we extract compound from plant and then check these compounds activity against breast cancer and cervical cancer then how to find related proteins for these ligand

  • @iqra4650
    @iqra4650 3 года назад +1

    Thank you sir for this easy method for docking 🌼

  • @ilhambenamor97
    @ilhambenamor97 Год назад +1

    How install docking

  • @nonhlemkhwanazi2149
    @nonhlemkhwanazi2149 2 года назад +1

    Does anyone know how to do the CB-Dock analysis, as in what does yellow, blue and grey dash lines represents in terms of interaction bondings. Thanks.

  • @mehwishahsan2194
    @mehwishahsan2194 3 года назад +1

    Thank you for the edifying video.

  • @jayakumark707
    @jayakumark707 3 года назад +1

    How a Ligand is selected from among 1000 of Ligand available in PDB database for a particular protein inhibition? Is it like a random selection or do we need to follow any specific rule?

    • @bioinfoxpert
      @bioinfoxpert  3 года назад +2

      Dear Jayakumar, Many thanks for your reply. Sorry for being late. There is one technique which is known as virtual drug screening. Normally this technique is used to select the best possible ligand. By the way, we have one very interesting course available at udemy to learn bioinformatics. There is a good amount of information there. We hope you will like to join us. Please click below to get access www.udemy.com/course/learn-bioinformatics/?referralCode=35C6DA89E7B61CA56DCC

  • @AmjadAli-zz1re
    @AmjadAli-zz1re Год назад

    Please can you share how to interpret its results

  • @muhammadabraryousaf1062
    @muhammadabraryousaf1062 3 года назад +1

    Do we need ligand and protein preparation before uploading them?

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

      No, in case of CB dock there is no need of any specific preparation. Yes, it will be great if you minimize the energy of your ligands and protein before docking but its not mandatory.

  • @aishashahfiquee9729
    @aishashahfiquee9729 3 года назад +1

    Can you please tell me wheather CB dock is more relaible or Auto dock viena? I want accurate results, are the results of cb dock are publishable

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

      Dear Aisha, Sorry for late reply. Both are reliable. You can use any of them. Yes we personally published the CB dock data. By the way, we have a one very interesting course available at udemy to learn bioinformatics. There is a good amount of information there. We hope you will like to join us. Please click below to get access www.udemy.com/course/learn-bioinformatics/?referralCode=35C6DA89E7B61CA56DCC

  • @priyankasshaji1237
    @priyankasshaji1237 Год назад +1

    Hi Sir, I doing my research in Chemistry. For docking I got only 2D structure of ligand in Pubchem. Can you please tell me how to find 3D structure of ligands.

    • @bioinfoxpert
      @bioinfoxpert  Год назад

      Dear If you are using the CB dock then you can upload 2D structures of your ligands only. Leave the rest to CBdock

  • @Kidsshow28
    @Kidsshow28 6 месяцев назад +1

    where is the ligand pdb video, how to make it?

    • @bioinfoxpert
      @bioinfoxpert  5 месяцев назад +1

      Dear Actually, its pretty easy to make ligand protein complex. Just open both in the Pymol and save them as single molecule.

  • @zahidbashirzargar7564
    @zahidbashirzargar7564 2 года назад +1

    Sir ,can you please explain how we can do docking of multiple ligands at same time

    • @bioinfoxpert
      @bioinfoxpert  2 года назад

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  • @noor-ul-ainmurtaza7117
    @noor-ul-ainmurtaza7117 3 года назад +1

    Is this online server allows the docking of DNA with ligand attach on nanoparticle?
    or any other online server which also give rmsd data as well?

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

      We will work on it

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

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  • @sanjeev1227
    @sanjeev1227 Год назад

    Can we dock ligand with multiple proteins with cb dock sir

  • @MiniTaleTerritory
    @MiniTaleTerritory Год назад +1

    Can you dock more than one ligand at a time?

    • @bioinfoxpert
      @bioinfoxpert  Год назад

      No you can not do that for this you need to adopt sequential docking protocol

    • @MiniTaleTerritory
      @MiniTaleTerritory Год назад

      @@bioinfoxpert I see.

  • @SureshKumar-ef8xu
    @SureshKumar-ef8xu 3 года назад +1

    Can you present video on molecular dynamics simulations on webserver

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

      Dear there are few website but they can not provide enough time of simulations. Max 2ns time is allowed for simulation which is obviously not enough

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

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  • @rbnaeem6730
    @rbnaeem6730 3 года назад +1

    Interesting info...thank you

  • @imrocknreeling
    @imrocknreeling 3 года назад +1

    Hi loved your video but can u tell how to decrease size of the ligand, i tried mol2, mol, pdb, sdf all these formats but all of them are above 15 kb. Can please help how to compress the file size of these formats?

    • @bioinfoxpert
      @bioinfoxpert  3 года назад +2

      Dear @Shah Faisal, sorry for the late reply. We were busy uploading our course on Udemy, therefore, could not pay attention to your comment. First of all, many thanks for your love. Secondly, normally ligands are small molecules having a size of less than 15Kb. I wonder why your file size is more than 15Kb. Can you please check that there is only a single pose of ligand in your file? Its very unusual to have a so much large size of ligand.

  • @xufenghuang
    @xufenghuang 2 года назад +1

    Sir could you kindly tell how to get 2D picture as well?

  • @diyaprajapati8300
    @diyaprajapati8300 3 года назад +1

    docking is easy by this method but i dont know how to analyse these results please help me for this

    • @bioinfoxpert
      @bioinfoxpert  3 года назад +2

      There is our one video regarding analysis of docking data. Please watch that video.

    • @bioinfoxpert
      @bioinfoxpert  3 года назад +2

      ruclips.net/video/jFmAemgY0So/видео.html

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

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  • @danzingmagand
    @danzingmagand 3 года назад

    I love youuuu!! Gracias por la ayuda :D

    • @bioinfoxpert
      @bioinfoxpert  3 года назад +1

      Thanks

    • @bioinfoxpert
      @bioinfoxpert  3 года назад +1

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  • @pallavisangle4787
    @pallavisangle4787 3 года назад

    Hello sir..
    How to get easily 2d diagram??

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

      Thanks for your comment. You can use LigPlot. Its wonderful programme to analyze ligand protein interaction

    • @bioinfoxpert
      @bioinfoxpert  3 года назад

      If you want to learn Bioinformatics then take our course on Udemy
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  • @Hema-et7dv
    @Hema-et7dv Год назад +2

    We want to pay for this

  • @afzaldanish5266
    @afzaldanish5266 2 года назад +1

    Wonderful sir
    Ma sha Allah

  • @NedaMAlam
    @NedaMAlam Год назад

    i still dont understand what is binding affinity and how this score is calculated

    • @bioinfoxpert
      @bioinfoxpert  Год назад +1

      Binding affinity is a measure of the strength of the interaction between two molecules, typically a ligand (small molecule) and a receptor (large molecule). A high binding affinity indicates a strong interaction and a low binding affinity indicates a weak interaction.
      The binding affinity score is typically expressed as the dissociation constant (Kd), which represents the concentration of the ligand required to occupy 50% of the receptor sites. Lower Kd values indicate higher binding affinity.

    • @NedaMAlam
      @NedaMAlam Год назад

      @@bioinfoxpert much thanks ❤️

  • @dayanvierabarredo2635
    @dayanvierabarredo2635 Год назад

    only works for very small ligands