Giovanni Bussi
@bussigio.bsky.social
Full professor at SISSA, msb.sissa.it group | Group leader @bussilab.org | Founder and developer @plumed.org
Reposted by Giovanni Bussi
Looking back on an inspiring and stimulating two days at the Ultra-Highfield NMR and 4D Structural Biology Symposium. Huge thanks to all speakers, participants, and organizers for making this such an insightful and engaging event! 🧲🧬
November 11, 2025 at 12:57 PM
Looking back on an inspiring and stimulating two days at the Ultra-Highfield NMR and 4D Structural Biology Symposium. Huge thanks to all speakers, participants, and organizers for making this such an insightful and engaging event! 🧲🧬
Reposted by Giovanni Bussi
Tomorrow we celebrate! 🎉
CECAM is looking forward to honoring Prof. Giulia Galli, recipient of the 2025 Berni J. Alder CECAM Prize, for her pioneering contributions to computational molecular science.
📅 Tomorrow, Nov 12 | 🕒 15:00–19:00
Info & full program: www.cecam.org/award-detail...
CECAM is looking forward to honoring Prof. Giulia Galli, recipient of the 2025 Berni J. Alder CECAM Prize, for her pioneering contributions to computational molecular science.
📅 Tomorrow, Nov 12 | 🕒 15:00–19:00
Info & full program: www.cecam.org/award-detail...
November 11, 2025 at 9:23 AM
Tomorrow we celebrate! 🎉
CECAM is looking forward to honoring Prof. Giulia Galli, recipient of the 2025 Berni J. Alder CECAM Prize, for her pioneering contributions to computational molecular science.
📅 Tomorrow, Nov 12 | 🕒 15:00–19:00
Info & full program: www.cecam.org/award-detail...
CECAM is looking forward to honoring Prof. Giulia Galli, recipient of the 2025 Berni J. Alder CECAM Prize, for her pioneering contributions to computational molecular science.
📅 Tomorrow, Nov 12 | 🕒 15:00–19:00
Info & full program: www.cecam.org/award-detail...
Reposted by Giovanni Bussi
#MD blind predictions of water/ions around Tetrahymena ribozyme #RNA matched cryo-EM data better than our baselines! Congrats #CASP16 + @rachael-kretsch.bsky.social + 23 brave groups. Still a ways to go — time for #DeepLearning of water? Community paper: doi.org/10.1002/prot...
November 11, 2025 at 12:53 AM
#MD blind predictions of water/ions around Tetrahymena ribozyme #RNA matched cryo-EM data better than our baselines! Congrats #CASP16 + @rachael-kretsch.bsky.social + 23 brave groups. Still a ways to go — time for #DeepLearning of water? Community paper: doi.org/10.1002/prot...
Reposted by Giovanni Bussi
The work describing the #CASP16 solvation challenge has been published in Proteins journal! doi.org/10.1002/prot...
November 8, 2025 at 4:02 PM
The work describing the #CASP16 solvation challenge has been published in Proteins journal! doi.org/10.1002/prot...
Reposted by Giovanni Bussi
#BNMRZ Symposium 2025
Ultra-Highfield NMR and 4D Structural Biology – From Mechanisms to Therapies
💻 Online attendance is still possible: t1p.de/zdr8j
👉 Further information: t1p.de/rjuz4
@tum.de
#StructuralBiology #CryoEM #AI #TherapeuticInnovations
Ultra-Highfield NMR and 4D Structural Biology – From Mechanisms to Therapies
💻 Online attendance is still possible: t1p.de/zdr8j
👉 Further information: t1p.de/rjuz4
@tum.de
#StructuralBiology #CryoEM #AI #TherapeuticInnovations
November 6, 2025 at 9:19 AM
#BNMRZ Symposium 2025
Ultra-Highfield NMR and 4D Structural Biology – From Mechanisms to Therapies
💻 Online attendance is still possible: t1p.de/zdr8j
👉 Further information: t1p.de/rjuz4
@tum.de
#StructuralBiology #CryoEM #AI #TherapeuticInnovations
Ultra-Highfield NMR and 4D Structural Biology – From Mechanisms to Therapies
💻 Online attendance is still possible: t1p.de/zdr8j
👉 Further information: t1p.de/rjuz4
@tum.de
#StructuralBiology #CryoEM #AI #TherapeuticInnovations
Reposted by Giovanni Bussi
Our work presented at the Ultra-Highfield NMR and 4D Structural Biology workshop www.bnmrz.org/4dstructbiol organized by @sattler-lab.bsky.social! @bussigio.bsky.social will show our works on #RNA dynamics integrating #MD, #SAXS, and #NMR and validating a #CASP16 target using #cryoEM data
BNMRZ - BNMRZ Symposium: Horizons for Ultra-Highfield NMR and 4D Structural Biology – From Mechanisms to Therapeutics
www.bnmrz.org
November 6, 2025 at 8:05 AM
Our work presented at the Ultra-Highfield NMR and 4D Structural Biology workshop www.bnmrz.org/4dstructbiol organized by @sattler-lab.bsky.social! @bussigio.bsky.social will show our works on #RNA dynamics integrating #MD, #SAXS, and #NMR and validating a #CASP16 target using #cryoEM data
Reposted by Giovanni Bussi
New #preprint alert! 🧬 Machine Learning for #RNA Secondary Structure Prediction: a #review of current methods and challenges, by Giuseppe Sacco, @bussigio.bsky.social, and Guido Sanguinetti arxiv.org/abs/2511.02622
Machine Learning for RNA Secondary Structure Prediction: a review of current methods and challenges
Predicting the secondary structure of RNA is a core challenge in computational biology, essential for understanding molecular function and designing novel therapeutics. The field has evolved from foun...
arxiv.org
November 5, 2025 at 10:32 PM
New #preprint alert! 🧬 Machine Learning for #RNA Secondary Structure Prediction: a #review of current methods and challenges, by Giuseppe Sacco, @bussigio.bsky.social, and Guido Sanguinetti arxiv.org/abs/2511.02622
Reposted by Giovanni Bussi
A new tutorial manuscript is out! 🚀 Making @plumed.org fly: a tutorial on optimizing performance, by Daniele Rapetti, @bonomimax.bsky.social @carlocamilloni.bsky.social @bussigio.bsky.social and Gareth Tribello. arxiv.org/abs/2511.02699
Making PLUMED fly: a tutorial on optimizing performance
PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dynamics softwares. Whi...
arxiv.org
November 5, 2025 at 8:16 AM
A new tutorial manuscript is out! 🚀 Making @plumed.org fly: a tutorial on optimizing performance, by Daniele Rapetti, @bonomimax.bsky.social @carlocamilloni.bsky.social @bussigio.bsky.social and Gareth Tribello. arxiv.org/abs/2511.02699
Reposted by Giovanni Bussi
A recent manuscript describing our and others’ efforts to predict the solvation shell of a group I intron is now available on bioRxiv! 🔬 doi.org/10.1101/2025...
Blind Prediction of Complex Water and Ion Ensembles Around RNA in CASP16
Biomolecules rely on water and ions for stable folding, but these interactions are often transient, dynamic, or disordered and thus hidden from experiments and evaluation challenges that represent bio...
doi.org
November 4, 2025 at 4:01 PM
A recent manuscript describing our and others’ efforts to predict the solvation shell of a group I intron is now available on bioRxiv! 🔬 doi.org/10.1101/2025...
Reposted by Giovanni Bussi
Elisa also contributed to the joint analysis of submissions and cryo-EM maps with @rachael-kretsch.bsky.social — a great example of collaboration across labs. 🤝 Congratulations to all participants!
November 4, 2025 at 4:01 PM
Elisa also contributed to the joint analysis of submissions and cryo-EM maps with @rachael-kretsch.bsky.social — a great example of collaboration across labs. 🤝 Congratulations to all participants!
Reposted by Giovanni Bussi
📽️ The recording of @bussigio.bsky.social 's talk at CASP RNA Special Interest Group is now available at www.youtube.com/watch?v=NRCg...
Giovanni Bussi: RNA molecules are not alone
YouTube video by CASP RNA SIG
www.youtube.com
November 4, 2025 at 3:52 PM
📽️ The recording of @bussigio.bsky.social 's talk at CASP RNA Special Interest Group is now available at www.youtube.com/watch?v=NRCg...
Reposted by Giovanni Bussi
Reposted by Giovanni Bussi
Our work presented today at the www.youtube.com/@CASPRNASIG online seminar! @bussigio.bsky.social will report on the #CASP16 solvation challenge and 2D ensemble reconstructions using #DMS data
CASP RNA SIG
Welcome nucleic acid enthusiasts to the Special Interest Group (SIG) focused different aspects of nucleic acid 3D structure prediction, including but not limited to obtaining experimental data, buildi...
www.youtube.com
October 30, 2025 at 2:45 PM
Our work presented today at the www.youtube.com/@CASPRNASIG online seminar! @bussigio.bsky.social will report on the #CASP16 solvation challenge and 2D ensemble reconstructions using #DMS data
Reposted by Giovanni Bussi
Our work presented today at the Biophysical Modeling of the Structure and Function of Viruses @cecamevents.bsky.social workshop at the @iescargese.bsky.social! @bussigio.bsky.social will report on the recent #CASP16 solvation challenge and 2D ensemble reconstructions using #DMS data
October 13, 2025 at 7:09 AM
Our work presented today at the Biophysical Modeling of the Structure and Function of Viruses @cecamevents.bsky.social workshop at the @iescargese.bsky.social! @bussigio.bsky.social will report on the recent #CASP16 solvation challenge and 2D ensemble reconstructions using #DMS data
Reposted by Giovanni Bussi
And thanks to the opponents @jmbujnicki.bsky.social and @giuliapalermo.bsky.social for evaluating Elisa's work, and sharing their recent research at SISSA
September 26, 2025 at 9:56 PM
And thanks to the opponents @jmbujnicki.bsky.social and @giuliapalermo.bsky.social for evaluating Elisa's work, and sharing their recent research at SISSA
Reposted by Giovanni Bussi
Congratulations to Elisa Posani for successfully defending her PhD thesis "Ensemble Refinement of Cryo-Electron Microscopy-Derived RNA Structures Using Molecular Dynamics Simulations"! Cosupervision with @magistratolab.bsky.social
September 26, 2025 at 9:56 PM
Congratulations to Elisa Posani for successfully defending her PhD thesis "Ensemble Refinement of Cryo-Electron Microscopy-Derived RNA Structures Using Molecular Dynamics Simulations"! Cosupervision with @magistratolab.bsky.social
Reposted by Giovanni Bussi
And thanks to the opponents Jürgen Köfinger and Julija Zavadlav for evaluating Ivan's work, and sharing their recent research at SISSA
September 26, 2025 at 9:52 PM
And thanks to the opponents Jürgen Köfinger and Julija Zavadlav for evaluating Ivan's work, and sharing their recent research at SISSA
Reposted by Giovanni Bussi
Congratulations to Ivan Gilardoni for successfully defending his PhD thesis "Development and application of methods to
integrate molecular simulations with experimental measurements"!
integrate molecular simulations with experimental measurements"!
September 26, 2025 at 9:50 PM
Congratulations to Ivan Gilardoni for successfully defending his PhD thesis "Development and application of methods to
integrate molecular simulations with experimental measurements"!
integrate molecular simulations with experimental measurements"!
Reposted by Giovanni Bussi
Our work presented today at the ICTP Conference on Frontiers in Atomistic Simulations: from Physics to Chemistry and Biology! @ollyfutur.bsky.social and Ivan Gilardoni will share posters with our results on enhancing #RNA - Mg binding and on integrating #MD simulations and experiments
September 10, 2025 at 3:16 PM
Our work presented today at the ICTP Conference on Frontiers in Atomistic Simulations: from Physics to Chemistry and Biology! @ollyfutur.bsky.social and Ivan Gilardoni will share posters with our results on enhancing #RNA - Mg binding and on integrating #MD simulations and experiments
Reposted by Giovanni Bussi
Our study is now published on JCIM🎉
We expanded and refined the preprint thanks to the insightful feedback from reviewers!
paper: pubs.acs.org/doi/10.1021/...
code: github.com/RitAreaScien...
We expanded and refined the preprint thanks to the insightful feedback from reviewers!
paper: pubs.acs.org/doi/10.1021/...
code: github.com/RitAreaScien...
Evolutionary Constraints Guide AlphaFold2 in Predicting Alternative Conformations and Inform Rational Mutation Design
Investigating structural variability is essential for understanding protein biological functions. Although AlphaFold2 accurately predicts static structures, it fails to capture the full spectrum of f...
pubs.acs.org
September 4, 2025 at 7:49 AM
Our study is now published on JCIM🎉
We expanded and refined the preprint thanks to the insightful feedback from reviewers!
paper: pubs.acs.org/doi/10.1021/...
code: github.com/RitAreaScien...
We expanded and refined the preprint thanks to the insightful feedback from reviewers!
paper: pubs.acs.org/doi/10.1021/...
code: github.com/RitAreaScien...
Reposted by Giovanni Bussi
Our research presented at the Cargese school on Molecular Evolution and Design! @sdimarco.bsky.social will show our simulations of #RNA #membrane interactions and Elisa Posani will share our approach integrating #MD and #cryoEM to investigate the #dynamics of a group I intron
August 21, 2025 at 6:36 AM
Reposted by Giovanni Bussi
New #openreview from our group at prereview.org/reviews/1672...! @sdimarco.bsky.social and @bussigio.bsky.social reviewed a #preprint by @potoyan.bsky.social on the Molecular Drivers of #RNA Phase Separation. Also available at doi.org/10.5281/zeno...
PREreview of “Molecular Drivers of RNA Phase Separation”
Authored by Giovanni Bussi and 1 other author
prereview.org
August 2, 2025 at 3:19 PM
New #openreview from our group at prereview.org/reviews/1672...! @sdimarco.bsky.social and @bussigio.bsky.social reviewed a #preprint by @potoyan.bsky.social on the Molecular Drivers of #RNA Phase Separation. Also available at doi.org/10.5281/zeno...
Reposted by Giovanni Bussi
Our research presented at the Cambridge Ellis Unit Summer School on Probabilistic Machine Learning! Giuseppe Sacco will present a poster reporting our machine-learned model for DMS-guided ensemble prediction of RNA systems www.ellis.eng.cam.ac.uk/summer-schoo...
Cambridge Ellis Unit Summer School on Probabilistic Machine Learning 2025 – ELLIS Cambridge Unit
www.ellis.eng.cam.ac.uk
July 16, 2025 at 12:49 PM
Our research presented at the Cambridge Ellis Unit Summer School on Probabilistic Machine Learning! Giuseppe Sacco will present a poster reporting our machine-learned model for DMS-guided ensemble prediction of RNA systems www.ellis.eng.cam.ac.uk/summer-schoo...
Reposted by Giovanni Bussi
The review has been already submitted to a journal — but we’re committed to improving it. Comments, suggestions, and discussions are very welcome! 🙏
July 14, 2025 at 6:50 AM
The review has been already submitted to a journal — but we’re committed to improving it. Comments, suggestions, and discussions are very welcome! 🙏