Fabian Grünewald
@fgrue.bsky.social
Independent PostDoc Fellow at HITS Heidelberg (@hitsters.bsky.social) working on chemical space exploration for nanomedicine using multi-scale #compchem methods
Reposted by Fabian Grünewald
Very happy to see our recent work featured on the cover of the Journal of Chemical Theory and Computation 🎉
A long journey with many people involved — grateful to everyone who helped make this happen.
Paper: pubs.acs.org/doi/10.1021/...
@pubs.acs.org #MyACSCover #JCTC #Martini3
A long journey with many people involved — grateful to everyone who helped make this happen.
Paper: pubs.acs.org/doi/10.1021/...
@pubs.acs.org #MyACSCover #JCTC #Martini3
January 27, 2026 at 9:59 AM
Very happy to see our recent work featured on the cover of the Journal of Chemical Theory and Computation 🎉
A long journey with many people involved — grateful to everyone who helped make this happen.
Paper: pubs.acs.org/doi/10.1021/...
@pubs.acs.org #MyACSCover #JCTC #Martini3
A long journey with many people involved — grateful to everyone who helped make this happen.
Paper: pubs.acs.org/doi/10.1021/...
@pubs.acs.org #MyACSCover #JCTC #Martini3
Reposted by Fabian Grünewald
Reposted by Fabian Grünewald
Martini 3 Building Blocks for Lipid Nanoparticle Design | Journal of Chemical Theory and Computation pubs.acs.org/doi/full/10....
Martini 3 Building Blocks for Lipid Nanoparticle Design
Lipid nanoparticles (LNPs) represent a promising platform for advanced drug and gene delivery, yet optimizing these particles for specific cargos and cell targets poses a complex multifaceted challeng...
pubs.acs.org
December 21, 2025 at 4:43 PM
Martini 3 Building Blocks for Lipid Nanoparticle Design | Journal of Chemical Theory and Computation pubs.acs.org/doi/full/10....
Reposted by Fabian Grünewald
New on the Martini webportal (cgmartini.nl/docs/contact...): acknowledgment of all the people who contribute to the development. The list is still growing - if you feel your name should be added please let us know.
December 18, 2025 at 9:41 AM
New on the Martini webportal (cgmartini.nl/docs/contact...): acknowledgment of all the people who contribute to the development. The list is still growing - if you feel your name should be added please let us know.
Reposted by Fabian Grünewald
Ever wondered what microscopic passengers you send out when you talk or sing? 🗣️💨
Rommie Amaro showed how viruses and more hitch a ride and how data-centric simulations give us atomic-scale views of these tiny travelers.
Ready to zoom in? Watch now on YouTube: www.youtube.com/watch?v=96KH...
Rommie Amaro showed how viruses and more hitch a ride and how data-centric simulations give us atomic-scale views of these tiny travelers.
Ready to zoom in? Watch now on YouTube: www.youtube.com/watch?v=96KH...
HITS-SIMPLAIX Colloquium: Rommie Amaro on Computational Microscopy for In Situ Molecular Dynamics
YouTube video by TheHITSters
www.youtube.com
December 4, 2025 at 9:13 AM
Ever wondered what microscopic passengers you send out when you talk or sing? 🗣️💨
Rommie Amaro showed how viruses and more hitch a ride and how data-centric simulations give us atomic-scale views of these tiny travelers.
Ready to zoom in? Watch now on YouTube: www.youtube.com/watch?v=96KH...
Rommie Amaro showed how viruses and more hitch a ride and how data-centric simulations give us atomic-scale views of these tiny travelers.
Ready to zoom in? Watch now on YouTube: www.youtube.com/watch?v=96KH...
Reposted by Fabian Grünewald
Try out the code for yourself:
💻 github.com/wilsonjcarte...
💻 github.com/wilsonjcarte...
📜 New preprint! We developed PoGö, an algorithm to optimize the essential dynamics of GöMartini proteins based on all-atom simulations: www.biorxiv.org/content/10.1...
October 27, 2025 at 7:56 AM
Try out the code for yourself:
💻 github.com/wilsonjcarte...
💻 github.com/wilsonjcarte...