EP 11 | Post MD Simulation movie for visualization Protein-Ligand complex trajectories | Gromacs

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  • Опубликовано: 29 окт 2022
  • Hi,
    I am Dr. Dweipayan Goswami,
    Welcome to my RUclips channel "Learn at ease"
    In this video I have explained how to perform post MD simulation visualization of Protein-Ligand Complex in the from of Video and how to export the video.
    Tutorial, Codes and Files used in this video will be found at Github :
    github.com/DweipayanG/GROMACS...
    This video is in continuation with my previous video:
    EP 10 | A to Z of Protein-Ligand MD Simulation in Gromacs | Reusable commands and files provided
    • EP 10 | Protein-Ligand...
    The files of protein ligand complex is the docked complex which I had prepared in my video :
    EP 1 | MOLECULAR DOCKING in UCSF CHIMERA by VINA Plugin from Scratch in Linux
    • EP 1 | MOLECULAR DOCKI...
    Other important videos available in the Playlist :
    • Bioinformatics-Unplugged

Комментарии • 19

  • @JQ-rf1xb
    @JQ-rf1xb 2 месяца назад +1

    Thank you for your wonderful explanation, it helped me tremendously😁

  • @davebruno218
    @davebruno218 Год назад

    Really you did a fantastic explanation and work. Thank you,sir.

  • @945corleone
    @945corleone Год назад +2

    One of my teachers used to say, "If someone chooses the hard way to teach you something, know that he doesn't know anything." I haven't seen anyone teach better than you on the RUclips platform. For this reason, thank you endless thanks.

    • @DweipayanG
      @DweipayanG  Год назад

      Thank you for the support and acknowledging my work

  • @lotfibourougaa6209
    @lotfibourougaa6209 Год назад +2

    Thank you very much...

  • @sanjaisrao484
    @sanjaisrao484 Год назад

    Learn to ease, ths name is perfect for your channel

  • @sanjaisrao484
    @sanjaisrao484 Год назад

    Thank you very much
    Keep uploading

  • @chemistryforall-bynsridhara
    @chemistryforall-bynsridhara Год назад

    Thank you sir for the valuable tutorial

  • @rahulnaga5010
    @rahulnaga5010 6 месяцев назад +1

    Sir can u make a video on mmpbsa. Thank you so much sir for this md videos. It is very much useful

  • @drusamaraza4287
    @drusamaraza4287 Год назад

    One of best and easiest way to perform MD simulation, thanks for making so east and conceptual detailed video .
    I have a question.
    That if a drug has mechanism of doing conformation change in protein or denature it so how it can be checked through MD simulation or RMSD or protein stability value kindly elobrate it

  • @sanghyunhwang1297
    @sanghyunhwang1297 Год назад +1

    Thank you so much sir

  • @chemistryforall-bynsridhara
    @chemistryforall-bynsridhara Год назад

    Sir, I have performed a 50ns md simulation, can I extend the simulation to 100ns, if so please guide me
    thank you.

  • @user-ev3bo8lw7e
    @user-ev3bo8lw7e 5 месяцев назад

    sir i could not find the MD /ensembled analysis in my tools of chimeraX. please response how i can get that and also is it necessary to have gromacs and chimera in the same system to get that. please reply

  • @gibsonalbert
    @gibsonalbert Год назад

    Hi! sir! if I have more than one protein-ligand complex pose, there should be different runs per pose?

  • @user-xl4vu9oh1k
    @user-xl4vu9oh1k Год назад +1

    Nice explanation, however, I find that in a lot of tutorials, waters are stretched, the protein is rotating around, does not seem correct, did you treat the PBC (trjconv) and remove rotation and translation because then only a correct trajectory can be visualized. If you calculate RMSD to first frame within this trajectory, it is going to give weird results since you didn't remove rotation and translation.

  • @sanjaisrao484
    @sanjaisrao484 Год назад

    Can you please provide all the output files, please