bussilab
@bussilab
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Research group lead by @BussiGio at @SissaSchool | #RNA, #moleculardynamics, and more | https://t.co/BDCD1PfyEH
Trieste, Italy
Joined February 2017
📢 Ten days left to apply for a #PhD in Molecular and Statistical Biophysics @Sissaschool 👇 Deadline is April 28!
📢 Apply for the #PhD 🎓 in Molecular and Statistical Biophysics at @Sissaschool in lovely Trieste! 4 fully funded fellowships starting Oct 2025. ~8 months of classes, then choose your project. Remote entrance exam. Deadline: 28.4.2025. Please RT! 👉
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📢 Apply for the #PhD 🎓 in Molecular and Statistical Biophysics at @Sissaschool in lovely Trieste! 4 fully funded fellowships starting Oct 2025. ~8 months of classes, then choose your project. Remote entrance exam. Deadline: 28.4.2025. Please RT! 👉
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Interested in #RNA modelling across multiple scales? Join us for the @cecamEvents meeting at @Sissaschool, Trieste, May 19-22! https://t.co/Cv1r0RTs9w We still have slots for contributed talks. Deadline March 23. Co-organized with @Magistrato_Lab and @devivo_marco
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📢 Post-doc opportunity alert! Join the Molecular and Statistical Biophysics group at @Sissaschool . Choose your mentor from @BussiGio , Cristian Micheletti, or Angelo Rosa, or collaborate across these groups. https://t.co/oOB4KMnhvO Please RT
bussilab.org
RNA, molecular dynamics, and more
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Our work presented at the XBW2024 workshop https://t.co/wDiIx3Alej! Salvatore Di Marco will show our results on #RNA - #membrane interactions (see https://t.co/RXAPGxUD6w), and @BussiGio will show our recent #CASP16 experience with RNA and Mg2+
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Our research presented at the #CASP16 meeting https://t.co/bX8L0bCfZx!
@bussigio will give a talk showing the results obtained with Olivier Languin-Cattoën and Elisa Posani on the #RNA solvation target
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Our research presented at the @cecamEvents workshop https://t.co/GDKdClyrxg! Ivan Gilardoni will show a poster about our #python package MDrefine. See also
arxiv.org
Molecular dynamics (MD) simulations play a crucial role in resolving the underlying conformational dynamics of molecular systems. However, their capability to correctly reproduce and predict...
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New #openreview from our group at https://t.co/QrgnmCuJDF!
@BussiGio and Ivan Gilardoni reviewed a #preprint by @PaulRobustelli on the determination of conformational ensembles for intrinsically disordered proteins, combining molecular dynamics simulations and experimental data
disq.us
Authors of the review Giovanni Bussi, Ivan Gilardoni This report was written after a journal club given by GB in the bussilab group meeting. All the members of the group, including external guests,...
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Our first #openreview has been published! https://t.co/ZlcFMPmmNI Olivier Languin-Cattoën and @BussiGio reviewed a #preprint by Guillaume Stirnemann and @glenhocky on catch bonding behavior in vinculin-actin unbinding kinetics
biorxiv.org
Vinculin forms a catch bond with the cytoskeletal polymer actin, displaying an increased bond lifetime upon force application. Notably, this behavior depends on the direction of the applied force,...
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This summer we used #moleculardynamics simulations and #enhancedsampling to predict the solvation shell of a ribozyme! Results will be announced at the coming #CASP16 conference, to which we will attend to present our approach. Finger crossed 🤞
CASP16 Abstract Book is online! https://t.co/edThKvaLWZ Dive into the latest advancements with the #CASP16 Abstract Book, showcasing groundbreaking methods from deep learning, AI-driven model refinement, RNA 3D structure predictions, and ligand docking strategies. From
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👂 Your feedback is invaluable as we finalize this work for journal submission in a couple of weeks. We’re committed to refining the manuscript throughout the review process.
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🗒️ The manuscript includes a detailed tutorial to reproduce results from our previous studies—ideal for getting started with the methods.
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đź’» Built on @numpy_team, @scipy_team, and JAX, MDRefine installs easily via `pip install MDRefine` and opens the door to new, even unforeseen, combinations in data integration.
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📚 We’ve demonstrated these concepts in recent works (see https://t.co/yAORZKloft,
https://t.co/kR7UitLcuC and https://t.co/YWbu1SSu2c). Now, MDRefine makes it easier to combine and explore these methods!
pubs.acs.org
A novel method combining the force-field fitting approach and ensemble refinement by the maximum entropy principle is presented. Its formulation allows us to continuously interpolate between these...
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🔬MD trajectories can be reweighted with experimental data in many flavors: refine ensembles, optimize force fields, or adjust forward models to match experimental outcomes more accurately. You can also use #alchemical simulations as a start
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🚀Introducing MDRefine: our new #python package for integrating experimental data with #moleculardynamics trajectories through diverse reweighting methods! Check out the #preprint: https://t.co/Hzuf6rQ9HA. Summary in thread 🧵:
arxiv.org
Molecular dynamics (MD) simulations play a crucial role in resolving the underlying conformational dynamics of molecular systems. However, their capability to correctly reproduce and predict...
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And please apologize for the incorrect links above 🙏. The correct places are https://t.co/oQmevmLUMM and
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👂We’d love your feedback on this preprint! Although we’re on a tight submission schedule, we’re eager to improve it during review.
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đź”—Access our input files on https://t.co/opxYKot59M (ID: 24.026) and check out the new tutorial on https://t.co/gzkoQuMazR (ID: 24.020) to get started!
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