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#pymol — Public Fediverse posts

Live and recent posts from across the Fediverse tagged #pymol, aggregated by home.social.

  1. Brute force simulations.

    "These proteins should form a pore through which RNA can pass."

    Me: Manually places the RNA in the middle of the proteins on a membrane and hopes for a miracle (or a pore).

    #compchem #simulation #moleculardynamics #proteinStructure #rna #protein #academicchatter #chemistry #pymol

  2. Brute force simulations.

    "These proteins should form a pore through which RNA can pass."

    Me: Manually places the RNA in the middle of the proteins on a membrane and hopes for a miracle (or a pore).

    #compchem #simulation #moleculardynamics #proteinStructure #rna #protein #academicchatter #chemistry #pymol

  3. Brute force simulations.

    "These proteins should form a pore through which RNA can pass."

    Me: Manually places the RNA in the middle of the proteins on a membrane and hopes for a miracle (or a pore).

    #compchem #simulation #moleculardynamics #proteinStructure #rna #protein #academicchatter #chemistry #pymol

  4. Brute force simulations.

    "These proteins should form a pore through which RNA can pass."

    Me: Manually places the RNA in the middle of the proteins on a membrane and hopes for a miracle (or a pore).

    #compchem #simulation #moleculardynamics #proteinStructure #rna #protein #academicchatter #chemistry #pymol

  5. Brute force simulations.

    "These proteins should form a pore through which RNA can pass."

    Me: Manually places the RNA in the middle of the proteins on a membrane and hopes for a miracle (or a pore).

    #compchem #simulation #moleculardynamics #proteinStructure #rna #protein #academicchatter #chemistry #pymol

  6. 🧬 Can we turn evolutionary signatures into maps of protein function?

    🔗 Analysis of Fbox substrate adapter proteins using ProteoSync, a program for projection of evolutionary conservation onto protein atomic coordinates. Computational and Structural Biotechnology Journal, DOI: doi.org/10.1016/j.csbj.2025.09

    📚 CSBJ: csbj.org/

    #ProteinScience #StructuralBiology #ProteoSync #ComputationalBiology #Bioinformatics #EvolutionaryBiology #MolecularBiology #PyMOL

  7. 🧬 Can we turn evolutionary signatures into maps of protein function?

    🔗 Analysis of Fbox substrate adapter proteins using ProteoSync, a program for projection of evolutionary conservation onto protein atomic coordinates. Computational and Structural Biotechnology Journal, DOI: doi.org/10.1016/j.csbj.2025.09

    📚 CSBJ: csbj.org/

    #ProteinScience #StructuralBiology #ProteoSync #ComputationalBiology #Bioinformatics #EvolutionaryBiology #MolecularBiology #PyMOL

  8. 🧬 Can we turn evolutionary signatures into maps of protein function?

    🔗 Analysis of Fbox substrate adapter proteins using ProteoSync, a program for projection of evolutionary conservation onto protein atomic coordinates. Computational and Structural Biotechnology Journal, DOI: doi.org/10.1016/j.csbj.2025.09

    📚 CSBJ: csbj.org/

    #ProteinScience #StructuralBiology #ProteoSync #ComputationalBiology #Bioinformatics #EvolutionaryBiology #MolecularBiology #PyMOL

  9. 🧬 Can we turn evolutionary signatures into maps of protein function?

    🔗 Analysis of Fbox substrate adapter proteins using ProteoSync, a program for projection of evolutionary conservation onto protein atomic coordinates. Computational and Structural Biotechnology Journal, DOI: doi.org/10.1016/j.csbj.2025.09

    📚 CSBJ: csbj.org/

    #ProteinScience #StructuralBiology #ProteoSync #ComputationalBiology #Bioinformatics #EvolutionaryBiology #MolecularBiology #PyMOL

  10. Oh man. Ich weiß auch nicht, warum die Betreuung von Promovierenden so viel Spaß macht.

    Aber das gemeinsame Brainstorming und Probleme lösen, das fetzt einfach total.

    Hat alles voll die Sogwirkung. Und mit jedem Paper und weiteren Tool tut sich direkt ein neues Rabbit Hole auf. 😅😂🫣

    Aktuell betreue ich eine Doktorandin, die Proteinsimulation macht.

    #Gromacs #Alphafold #PyMOL

  11. Oh man. Ich weiß auch nicht, warum die Betreuung von Promovierenden so viel Spaß macht.

    Aber das gemeinsame Brainstorming und Probleme lösen, das fetzt einfach total.

    Hat alles voll die Sogwirkung. Und mit jedem Paper und weiteren Tool tut sich direkt ein neues Rabbit Hole auf. 😅😂🫣

    Aktuell betreue ich eine Doktorandin, die Proteinsimulation macht.

    #Gromacs #Alphafold #PyMOL

  12. Oh man. Ich weiß auch nicht, warum die Betreuung von Promovierenden so viel Spaß macht.

    Aber das gemeinsame Brainstorming und Probleme lösen, das fetzt einfach total.

    Hat alles voll die Sogwirkung. Und mit jedem Paper und weiteren Tool tut sich direkt ein neues Rabbit Hole auf. 😅😂🫣

    Aktuell betreue ich eine Doktorandin, die Proteinsimulation macht.

    #Gromacs #Alphafold #PyMOL

  13. Oh man. Ich weiß auch nicht, warum die Betreuung von Promovierenden so viel Spaß macht.

    Aber das gemeinsame Brainstorming und Probleme lösen, das fetzt einfach total.

    Hat alles voll die Sogwirkung. Und mit jedem Paper und weiteren Tool tut sich direkt ein neues Rabbit Hole auf. 😅😂🫣

    Aktuell betreue ich eine Doktorandin, die Proteinsimulation macht.

    #Gromacs #Alphafold #PyMOL

  14. Oh man. Ich weiß auch nicht, warum die Betreuung von Promovierenden so viel Spaß macht.

    Aber das gemeinsame Brainstorming und Probleme lösen, das fetzt einfach total.

    Hat alles voll die Sogwirkung. Und mit jedem Paper und weiteren Tool tut sich direkt ein neues Rabbit Hole auf. 😅😂🫣

    Aktuell betreue ich eine Doktorandin, die Proteinsimulation macht.

    #Gromacs #Alphafold #PyMOL

  15. Slide from my talk "Open Science for Medicine and Society" at Komazawa university. Using GNU Health to select a BRCA1 variant involved in breast #cancer and the 3D representation of the BRCT domain using PyMOL.
    Having access to the latest scientific evidence makes a huge difference in patients, yet medical research is being dismantled by #corporatocracy.
    Medicine and society evolves not because of the bullshit hype of AI, but because of the effort and talent of the men and women behind these projects. Respect :anarchoheart3: 🩺
    #UniProt #HUGO #GNUHealth #PyMOL #NIH #genomics #OpenScience

  16. Haven't found a solution to the problem yet. You'd expect something so simple shouldn't be that difficult to find.

    Is there a way for me to manually rotate these molecules and align them?

    I can align them in PyMol, but the alignment is not done how I want it done.

    When I open both, select A, rotate A into the desired position, then select B, and rotate B, A has changed orientation.

    Anybody any suggestions for manual alignment of small molecules?

    #PyMol #chemistry #smallmolecules #ligands

  17. Is there a way for me to manually rotate these molecules and align them?

    I can align them in PyMol, but the alignment is not done how I want it done.

    When I open both, select A, rotate A into the desired position, then select B, and rotate B, A has changed orientation.

    Anybody any suggestions for manual alignment of small molecules?

    #PyMol #chemistry #smallmolecules

  18. #folding #proteins by #NeuralNetwork just for fun 'cause I can :)

    Hard to believe that complete set of life's stock parts fits on screen: 22 #AminoAcids + 4 #RNA blocks. Anything else can be made of these, or by tools made of these, or by tools made by tools made by... Including you and your computer. I am staring at it in transcendental #amazement.

    #3D makes #biochemistry fun. And #FreeCAD now feels easy after #PyMOL if #anaglyph glasses need a tweak :)

  19. #folding #proteins by #NeuralNetwork just for fun 'cause I can :)

    Hard to believe that complete set of life's stock parts fits on screen: 22 #AminoAcids + 4 #RNA blocks. Anything else can be made of these, or by tools made of these, or by tools made by tools made by... Including you and your computer. I am staring at it in transcendental #amazement.

    #3D makes #biochemistry fun. And #FreeCAD now feels easy after #PyMOL if #anaglyph glasses need a tweak :)