@lstelzl.bsky.social
Prof Biomolecular Simulations Uni Mainz. Disordered proteins, nucleic acids and their dynamics, complexes and phase-separated condensates. Integrating simulations and experiments.
Reposted
🎉 Congrats to @kgaurav.bsky.social, Lukas Stelzl & @reneketting.bsky.social (SFB1551) on their new Biophysical Journal paper! #MUT16 #PhaseSeparation #MutatorFoci #SmallRNA #GeneRegulation #Celegans #ProteinAssembly #RNAResearch #MultiscaleSimulations Great teamwork👏👏👏 www.cell.com/biophysj/ful....
Multi-scale Simulations of MUT-16 Scaffold Protein Phase Separation and Client Recognition
Phase separation of proteins plays a critical role in cellular organisation. How phase
separated protein condensates underpin biological function and how condensates achieve
specificity remain elusive...
www.cell.com
August 14, 2025 at 12:28 PM
🎉 Congrats to @kgaurav.bsky.social, Lukas Stelzl & @reneketting.bsky.social (SFB1551) on their new Biophysical Journal paper! #MUT16 #PhaseSeparation #MutatorFoci #SmallRNA #GeneRegulation #Celegans #ProteinAssembly #RNAResearch #MultiscaleSimulations Great teamwork👏👏👏 www.cell.com/biophysj/ful....
Reposted
Very happy to release AutoMartiniM3 for Martini3 to automatize CG modelling of small molecules and fragments.
Great work from M Szczuka in my lab in collab with @pauloctsouza.bsky.social and @tbereau.bsky.social teams!
Give it a try: github.com/Martini-Forc...
poke @cg-martini.bsky.social
Great work from M Szczuka in my lab in collab with @pauloctsouza.bsky.social and @tbereau.bsky.social teams!
Give it a try: github.com/Martini-Forc...
poke @cg-martini.bsky.social
June 11, 2025 at 6:49 AM
Very happy to release AutoMartiniM3 for Martini3 to automatize CG modelling of small molecules and fragments.
Great work from M Szczuka in my lab in collab with @pauloctsouza.bsky.social and @tbereau.bsky.social teams!
Give it a try: github.com/Martini-Forc...
poke @cg-martini.bsky.social
Great work from M Szczuka in my lab in collab with @pauloctsouza.bsky.social and @tbereau.bsky.social teams!
Give it a try: github.com/Martini-Forc...
poke @cg-martini.bsky.social
Reposted
Very excited to be recruiting for an Associate Principal Scientist: Molecular Modeling, Analytical Research & Develop. Our Digital Sciences team is seeing many requests related to influencing formulation design, especially for biologics. #chemjobs #compchem #chemsky jobs.merck.com/us/en/job/R3...
Associate Principal Scientist: Molecular Modeling, Analytical Research & Development job in Rahway, New Jersey, United States of America | jobs at Merck migration
Apply for Associate Principal Scientist: Molecular Modeling, Analytical Research & Development job with Merck migration in Rahway, New Jersey, United States of America. Browse and apply for the jobs a...
jobs.merck.com
June 7, 2025 at 10:46 AM
Very excited to be recruiting for an Associate Principal Scientist: Molecular Modeling, Analytical Research & Develop. Our Digital Sciences team is seeing many requests related to influencing formulation design, especially for biologics. #chemjobs #compchem #chemsky jobs.merck.com/us/en/job/R3...
Reposted
Martini workshop registration now open !!!!
See cgmartini.nl for details and how to apply.
Looking forward to seeing you in Groningen, Aug 11-15th.
See cgmartini.nl for details and how to apply.
Looking forward to seeing you in Groningen, Aug 11-15th.
May 27, 2025 at 7:55 AM
Martini workshop registration now open !!!!
See cgmartini.nl for details and how to apply.
Looking forward to seeing you in Groningen, Aug 11-15th.
See cgmartini.nl for details and how to apply.
Looking forward to seeing you in Groningen, Aug 11-15th.
Reposted
🚨Publication alert🚨
"Molecular simulations of enzymatic phosphorylation of disordered proteins and their condensates" by Emanuele Zippo, @lstelzl.bsky.social, @dormannlab.bsky.social & Thomas Speck. Congratulations!!
📄 www.nature.com/articles/s41...
#TDP43 #CK1δ #ALS #biophysics #proteincondensates
"Molecular simulations of enzymatic phosphorylation of disordered proteins and their condensates" by Emanuele Zippo, @lstelzl.bsky.social, @dormannlab.bsky.social & Thomas Speck. Congratulations!!
📄 www.nature.com/articles/s41...
#TDP43 #CK1δ #ALS #biophysics #proteincondensates
Molecular simulations of enzymatic phosphorylation of disordered proteins and their condensates - Nature Communications
Here, the authors implement molecular dynamics simulations to model ATP-driven enzymatic reactions, revealing how the enzyme CK1δ phosphorylates condensates of the neurodegeneration linked protein TDP...
www.nature.com
May 22, 2025 at 8:43 AM
🚨Publication alert🚨
"Molecular simulations of enzymatic phosphorylation of disordered proteins and their condensates" by Emanuele Zippo, @lstelzl.bsky.social, @dormannlab.bsky.social & Thomas Speck. Congratulations!!
📄 www.nature.com/articles/s41...
#TDP43 #CK1δ #ALS #biophysics #proteincondensates
"Molecular simulations of enzymatic phosphorylation of disordered proteins and their condensates" by Emanuele Zippo, @lstelzl.bsky.social, @dormannlab.bsky.social & Thomas Speck. Congratulations!!
📄 www.nature.com/articles/s41...
#TDP43 #CK1δ #ALS #biophysics #proteincondensates
Reposted
Pre-announcement: MARTINI tutorial workshop, August 11-15th 2025 in Groningen, The Netherlands !!
Learn basic and advanced Martini from the cocktail masters themselves. Registration will open soon.
Learn basic and advanced Martini from the cocktail masters themselves. Registration will open soon.
April 28, 2025 at 9:06 AM
Pre-announcement: MARTINI tutorial workshop, August 11-15th 2025 in Groningen, The Netherlands !!
Learn basic and advanced Martini from the cocktail masters themselves. Registration will open soon.
Learn basic and advanced Martini from the cocktail masters themselves. Registration will open soon.
Reposted
Excited to share our preprint on the molecular architecture of heterochromatin in human cells 🧬🔬w/ @jpkreysing.bsky.social, @johannesbetz.bsky.social,
@marinalusic.bsky.social, Turoňová lab, @hummerlab.bsky.social @becklab.bsky.social @mpibp.bsky.social
🔗 Preprint here tinyurl.com/3a74uanv
@marinalusic.bsky.social, Turoňová lab, @hummerlab.bsky.social @becklab.bsky.social @mpibp.bsky.social
🔗 Preprint here tinyurl.com/3a74uanv
April 11, 2025 at 8:35 AM
Excited to share our preprint on the molecular architecture of heterochromatin in human cells 🧬🔬w/ @jpkreysing.bsky.social, @johannesbetz.bsky.social,
@marinalusic.bsky.social, Turoňová lab, @hummerlab.bsky.social @becklab.bsky.social @mpibp.bsky.social
🔗 Preprint here tinyurl.com/3a74uanv
@marinalusic.bsky.social, Turoňová lab, @hummerlab.bsky.social @becklab.bsky.social @mpibp.bsky.social
🔗 Preprint here tinyurl.com/3a74uanv
Reposted
Job alert: Join us in Mainz as
Max Planck Research Group Leader (W2) in Molecular Design
...and make your own research dreams happen on de novo design, generative models, proteins, materials ...
tinyurl.com/r2xjxnuk
@mpip-mainz.mpg.de
Max Planck Research Group Leader (W2) in Molecular Design
...and make your own research dreams happen on de novo design, generative models, proteins, materials ...
tinyurl.com/r2xjxnuk
@mpip-mainz.mpg.de
Max Planck Research Group Leader (W2) in Molecular Design
We are looking for exceptional early-career scientists conducting computational research with a proven record of accomplishment. The primary focus of this call is on candidates proposing research on b...
tinyurl.com
April 4, 2025 at 4:00 PM
Job alert: Join us in Mainz as
Max Planck Research Group Leader (W2) in Molecular Design
...and make your own research dreams happen on de novo design, generative models, proteins, materials ...
tinyurl.com/r2xjxnuk
@mpip-mainz.mpg.de
Max Planck Research Group Leader (W2) in Molecular Design
...and make your own research dreams happen on de novo design, generative models, proteins, materials ...
tinyurl.com/r2xjxnuk
@mpip-mainz.mpg.de
Reposted
Our paper on prediction of phase-separation propensities of disordered proteins from sequence is now published:
www.pnas.org/doi/10.1073/...
The paper has been substantially updated compared to the preprint including new experimental data and using the neural network to finetune CALVADOS. 1/n
www.pnas.org/doi/10.1073/...
The paper has been substantially updated compared to the preprint including new experimental data and using the neural network to finetune CALVADOS. 1/n
March 25, 2025 at 5:54 PM
Our paper on prediction of phase-separation propensities of disordered proteins from sequence is now published:
www.pnas.org/doi/10.1073/...
The paper has been substantially updated compared to the preprint including new experimental data and using the neural network to finetune CALVADOS. 1/n
www.pnas.org/doi/10.1073/...
The paper has been substantially updated compared to the preprint including new experimental data and using the neural network to finetune CALVADOS. 1/n
Reposted
We’re looking for fellow nerds to help us make disordered proteins druggable. Love #IDPs, #MD, #NMR, #AI, #DrugDiscovery, or #MassSpec? Let’s talk.
@bindresearch.org is hiring across the board: bindresearch.org/careers/
#compchem #compbio #NMRChat #TeamMassSpec #chemjobs @chemjobber.bsky.social
@bindresearch.org is hiring across the board: bindresearch.org/careers/
#compchem #compbio #NMRChat #TeamMassSpec #chemjobs @chemjobber.bsky.social
Careers
Careers
bindresearch.org
March 24, 2025 at 10:51 AM
We’re looking for fellow nerds to help us make disordered proteins druggable. Love #IDPs, #MD, #NMR, #AI, #DrugDiscovery, or #MassSpec? Let’s talk.
@bindresearch.org is hiring across the board: bindresearch.org/careers/
#compchem #compbio #NMRChat #TeamMassSpec #chemjobs @chemjobber.bsky.social
@bindresearch.org is hiring across the board: bindresearch.org/careers/
#compchem #compbio #NMRChat #TeamMassSpec #chemjobs @chemjobber.bsky.social
Reposted
Martini 3 - IDP is out! Improved parameters for disordered proteins, great work from Liguo Wang: www.nature.com/articles/s41...
Martini3-IDP: improved Martini 3 force field for disordered proteins - Nature Communications
Here, the authors introduce Martini3-IDP, a refined model for disordered proteins that addresses prior over-compact structures. Validated across diverse systems, it captures IDP interactions and biomo...
www.nature.com
March 24, 2025 at 8:09 PM
Martini 3 - IDP is out! Improved parameters for disordered proteins, great work from Liguo Wang: www.nature.com/articles/s41...
Reposted
We are organizing a conference for young researchers at the intersection between physics & biology: www.embl.org/about/info/c... @embl.org @events.embl.org @intcha.bsky.social
Please consider applying/registering -- the deadline is already in one week!
Please consider applying/registering -- the deadline is already in one week!
March 24, 2025 at 2:35 PM
We are organizing a conference for young researchers at the intersection between physics & biology: www.embl.org/about/info/c... @embl.org @events.embl.org @intcha.bsky.social
Please consider applying/registering -- the deadline is already in one week!
Please consider applying/registering -- the deadline is already in one week!
Traveling to San Diego for ACS. Really looking forward to the meeting ☺️.l!
March 22, 2025 at 2:25 PM
Traveling to San Diego for ACS. Really looking forward to the meeting ☺️.l!
Reposted
CALVADOS now has parameters for phosphorylated amino acids
@asrauh.bsky.social @giuliotesei.bsky.social and Gustav Hedemark used a top-down approach in which we targeted experimental data to derive parameters or phosphorylated serine and threonine doi.org/10.1101/2025...
@asrauh.bsky.social @giuliotesei.bsky.social and Gustav Hedemark used a top-down approach in which we targeted experimental data to derive parameters or phosphorylated serine and threonine doi.org/10.1101/2025...
March 21, 2025 at 6:59 AM
CALVADOS now has parameters for phosphorylated amino acids
@asrauh.bsky.social @giuliotesei.bsky.social and Gustav Hedemark used a top-down approach in which we targeted experimental data to derive parameters or phosphorylated serine and threonine doi.org/10.1101/2025...
@asrauh.bsky.social @giuliotesei.bsky.social and Gustav Hedemark used a top-down approach in which we targeted experimental data to derive parameters or phosphorylated serine and threonine doi.org/10.1101/2025...
Reposted
Protein dynamics was the first research to enchant me >10yrs ago, but I left in PhD bc I couldn't find big experimental data to evaluate models.
Today w @ginaelnesr.bsky.social, I'm thrilled to share the big dynamics data I've been dreaming of, and the mdl we trained w them: Dyna-1.
📝: rb.gy/de5axp
Today w @ginaelnesr.bsky.social, I'm thrilled to share the big dynamics data I've been dreaming of, and the mdl we trained w them: Dyna-1.
📝: rb.gy/de5axp
March 20, 2025 at 3:02 PM
Protein dynamics was the first research to enchant me >10yrs ago, but I left in PhD bc I couldn't find big experimental data to evaluate models.
Today w @ginaelnesr.bsky.social, I'm thrilled to share the big dynamics data I've been dreaming of, and the mdl we trained w them: Dyna-1.
📝: rb.gy/de5axp
Today w @ginaelnesr.bsky.social, I'm thrilled to share the big dynamics data I've been dreaming of, and the mdl we trained w them: Dyna-1.
📝: rb.gy/de5axp
Reposted
New paper from the Voelz Lab in @pccp.rsc.org! Goold et al. performed many parallel expanded ensemble free energy simulations on @foldingathome.org using GROMACS (@gromacs.bsky.social) with OpenFF 2.0 (@openforcefield.org) to make blind logP predictions in SAMPL9
doi.org/10.1039/D4CP...
doi.org/10.1039/D4CP...
Expanded ensemble predictions of toluene–water partition coefficients in the SAMPL9 log P challenge
The logarithm of the partition coefficient (log P) between water and a nonpolar solvent is useful for characterizing a small molecule's hydrophobicity. For example, the water–octanol log P is often us...
doi.org
March 19, 2025 at 3:36 PM
New paper from the Voelz Lab in @pccp.rsc.org! Goold et al. performed many parallel expanded ensemble free energy simulations on @foldingathome.org using GROMACS (@gromacs.bsky.social) with OpenFF 2.0 (@openforcefield.org) to make blind logP predictions in SAMPL9
doi.org/10.1039/D4CP...
doi.org/10.1039/D4CP...
Reposted
Cool stuff from our collaboration with @mxhend.bsky.social: the fold of tau filaments matters for seeding in primary cultures & in live mice: the AD fold is more seeding efficient than non-AD folds! But that's not all: phosphorylation of the fuzzy coat matters too. 🤩
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
Seed structure and phosphorylation in the fuzzy coat impact tau seeding competency
Tau is a pathogenic protein in Alzheimer's (AD) and other neurodegenerative diseases. The misfolding of tau into beta-sheet rich elongated filaments is thought to be a key event in disease pathogenesi...
www.biorxiv.org
March 12, 2025 at 4:54 PM
Cool stuff from our collaboration with @mxhend.bsky.social: the fold of tau filaments matters for seeding in primary cultures & in live mice: the AD fold is more seeding efficient than non-AD folds! But that's not all: phosphorylation of the fuzzy coat matters too. 🤩
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
Reposted
Just dropped on bioRxiv! Our team has assembled a data-driven map of the human E3 ligome. Check out our preprint! #E3_ligome #ubiquitination #dataIntegration #metriclearning www.biorxiv.org/content/10.1...
Multi-scale classification decodes the complexity of the human E3 ligome
E3 ubiquitin ligases are key regulators of protein homeostasis, targeting specific proteins for degradation via the ubiquitin-proteasome system (UPS). They provide crucial substrate specificity, makin...
www.biorxiv.org
March 13, 2025 at 4:11 PM
Just dropped on bioRxiv! Our team has assembled a data-driven map of the human E3 ligome. Check out our preprint! #E3_ligome #ubiquitination #dataIntegration #metriclearning www.biorxiv.org/content/10.1...
Reposted
Our review on machine learning methods to study sequence–ensemble–function relationships in disordered proteins is now out in COSB
authors.elsevier.com/sd/article/S...
Led by @sobuelow.bsky.social and Giulio Tesei
authors.elsevier.com/sd/article/S...
Led by @sobuelow.bsky.social and Giulio Tesei
March 12, 2025 at 9:35 PM
Our review on machine learning methods to study sequence–ensemble–function relationships in disordered proteins is now out in COSB
authors.elsevier.com/sd/article/S...
Led by @sobuelow.bsky.social and Giulio Tesei
authors.elsevier.com/sd/article/S...
Led by @sobuelow.bsky.social and Giulio Tesei
Go and work with @reidalderson.bsky.social !!!
An open #PhD position is available in my lab in Munich 🇩🇪 If you are interested in structural biology, #AlphaFold, or disordered proteins, see below for more details.
jobs.helmholtz-muenchen.de/jobposting/b...
#science #PhD #research
jobs.helmholtz-muenchen.de/jobposting/b...
#science #PhD #research
PhD Position in Structural Biology (f/m/x)
jobs.helmholtz-muenchen.de
March 11, 2025 at 7:33 AM
Go and work with @reidalderson.bsky.social !!!
Reposted
New Preprint ‼️ Work led by the incredible @ananyac2000.bsky.social 💃🏽💃🏽 Mpipi-T is finally here!!! 🥳🥳 👇🏽👇🏽
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
March 6, 2025 at 10:10 PM
New Preprint ‼️ Work led by the incredible @ananyac2000.bsky.social 💃🏽💃🏽 Mpipi-T is finally here!!! 🥳🥳 👇🏽👇🏽
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
Reposted
CALVADOS 🤝 PEG
Work from @asrauh.bsky.social on a simple model for polyethylene glycol to study the effects of crowding on IDPs
Work from @asrauh.bsky.social on a simple model for polyethylene glycol to study the effects of crowding on IDPs
March 6, 2025 at 10:01 PM
CALVADOS 🤝 PEG
Work from @asrauh.bsky.social on a simple model for polyethylene glycol to study the effects of crowding on IDPs
Work from @asrauh.bsky.social on a simple model for polyethylene glycol to study the effects of crowding on IDPs
Reposted
We’re hiring a computational biologist in Heidelberg DE or Stevenage UK to work on a pretty ambitious project with fun people for the year www.linkedin.com/jobs/view/41...
GSK hiring Computational Biologist in Stevenage, England, United Kingdom | LinkedIn
Posted 11:13:48 PM. Site Name: UK - Hertfordshire - Stevenage, Heidelberg - OfficePosted Date: Feb 28 2025We create a…See this and similar jobs on LinkedIn.
www.linkedin.com
March 1, 2025 at 7:49 AM
We’re hiring a computational biologist in Heidelberg DE or Stevenage UK to work on a pretty ambitious project with fun people for the year www.linkedin.com/jobs/view/41...