#PolyplyMD - Twitter Hashtag

about 2 years ago

On the way to #ACSFall2024. Looking forward to meeting friends and making new ones. On Thursday (4110400) I will present our (@ricalessandri, @JanAdStevens, @SouzaPauloCT) advances on #polyplyMD for macromolecule modeling. Drop me a DM for anything #Martini3 you wann talk about.

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Fabian Grunewald @fabigrue

over 4 years ago

Fighting cancer with the help of #polyplyMD, #CG_MARTINI simulations. Dane et al. from @kochinstitute simulated vesicles and nanodiscs containing PEGylated lipids as nanocarriers for cancer therapeutics. Check it out in @NatureMaterials (https://t.co/1Yhw1XSbv3).

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Jan Stevens @JanAdStevens

over 4 years ago

Sneak peek at a CG model of the full JCVI-Syn3A genome and ribosomes, made with #Martini. Trying to see how far we can push #PolyplyMD, the model counts 25 mln. CG beads! Awesome project with @fabigrue, @CG_Martini and the Luthey-Schulten group. Let's see if it energy minimizes🤞

JanAdStevens's tweet photo. Sneak peek at a CG model of the full JCVI-Syn3A genome and ribosomes, made with #Martini. Trying to see how far we can push #PolyplyMD, the model counts 25 mln. CG beads!
Awesome project with @fabigrue, @CG_Martini and the Luthey-Schulten group. Let's see if it energy minimizes🤞 https://t.co/Cu8aBX09Gn

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Fabian Grunewald @fabigrue

over 4 years ago

Casually making an itp file for the Syn3A GENOME (0.5Mbp) using #polyplyMD. That translates to ~25M lines at the #CG_Martini level for a single strand. @JanAdStevens makes the coordinates and we should be able to simulate it. Typical afternoon in #biophysics.

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Fabian Grunewald @fabigrue

over 4 years ago

Unfortunately the picture didn't make it to the #BPS2022 image contest finals. Still worth sharing this collaborative work with Melanie König. You see the all-atom csDNA of the PCV2 virus generated with #polyplyMD inside the capsid. Wanna know more? Come to my poster B460 today

fabigrue's tweet photo. Unfortunately the picture didn't make it to the #BPS2022 image contest finals. Still worth sharing this collaborative work with Melanie König. You see the all-atom csDNA of the PCV2 virus generated with #polyplyMD inside the capsid. Wanna know more? Come to my poster B460 today https://t.co/9uN0ZM6QbY

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Fabian Grunewald @fabigrue

over 4 years ago

Our article on #polyplyMD for #md simulations of nanomaterials and (bio)macromolecules is now featured as editors' highlight (https://t.co/tKuNpquCIW) @NatureComms . The dev-team is very happy to receive this honor. Want to know more, check us out at #bps22 #compchem #CG_Martini

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