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

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  • เผยแพร่เมื่อ 11 ม.ค. 2025

ความคิดเห็น • 19

  • @945corleone
    @945corleone ปีที่แล้ว +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 TH-cam platform. For this reason, thank you endless thanks.

    • @DweipayanG
      @DweipayanG  ปีที่แล้ว

      Thank you for the support and acknowledging my work

  • @JQ-rf1xb
    @JQ-rf1xb 8 หลายเดือนก่อน +2

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

  • @sanjaisrao484
    @sanjaisrao484 2 ปีที่แล้ว

    Learn to ease, ths name is perfect for your channel

  • @davebruno218
    @davebruno218 ปีที่แล้ว

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

  • @drusamaraza4287
    @drusamaraza4287 ปีที่แล้ว

    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

  • @rahulnaga5010
    @rahulnaga5010 ปีที่แล้ว +1

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

  • @sanjaisrao484
    @sanjaisrao484 2 ปีที่แล้ว

    Thank you very much
    Keep uploading

  • @chemistryforall-bynsridhara
    @chemistryforall-bynsridhara ปีที่แล้ว

    Thank you sir for the valuable tutorial

  • @lotfibourougaa6209
    @lotfibourougaa6209 2 ปีที่แล้ว +2

    Thank you very much...

  • @MasihuzzamanAnsari-o8v
    @MasihuzzamanAnsari-o8v 11 หลายเดือนก่อน

    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

  • @BhawnaDixit-s5h
    @BhawnaDixit-s5h ปีที่แล้ว +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.

  • @chemistryforall-bynsridhara
    @chemistryforall-bynsridhara ปีที่แล้ว

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

  • @sanghyunhwang1297
    @sanghyunhwang1297 ปีที่แล้ว +1

    Thank you so much sir

  • @gibsonalbert
    @gibsonalbert ปีที่แล้ว

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

  • @sanjaisrao484
    @sanjaisrao484 2 ปีที่แล้ว

    Can you please provide all the output files, please