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Horacio V. Guzman @gocompmodeling.bsky.social · 28d

After 4 days of listening to top-notch experts in the field of glycoprotein/membrane interactions. I want to say big thanks to @rommieamaro.bsky.social @biophysmatt.bsky.social @rocovino.bsky.social and AtilioV & @giorgiocolombo.bsky.social for hosting me as a speaker and also poster presenter* 2!

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Horacio V. Guzman @gocompmodeling.bsky.social · Aug 6

awesome, and very helpful to the computational biophysist!🧶🪡

Nature Nanotechnology @natnano.nature.com · Aug 6

Research Briefing:

"Visualizing the nanostructure of the cell’s sugar coat."

Here, the author's views, expert opinion, and insights behind the recently published paper "Ångström-resolution imaging of cell-surface glycans" are presented.

#Glycotime

www.nature.com/articles/s41...

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Horacio V. Guzman @gocompmodeling.bsky.social · Jul 29

Participate in Capri, BTW are glycan-protein complexes also tackled?

Alexandre Bonvin @amjjbonvin.bsky.social · Jul 29

A small reminder to all structural biologists around working on biomolecular complexes: please consider sharing your complexes as targets for CAPRI - AI has not solved all structure prediction problems and there are still challenges! See www.capri-docking.org/contribute/

CAPRI Docking

www.capri-docking.org

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Horacio V. Guzman @gocompmodeling.bsky.social · Jul 24

Congrats, sounds like a very challenging question! I've bookmarked the Preprint! Could you share some trajectories 💾👍?

Horacio V. Guzman @gocompmodeling.bsky.social · Jul 24

Same question here!

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Horacio V. Guzman @gocompmodeling.bsky.social · Jun 30

Are you studying biophysical phenomena @interfaces ? Then check-out our newest toolbox doi.org/10.1016/j.bp..., featuring membranes and biopolymers (basic+advanced) analyses in 2D! 🫓 🏄 🦠🧬🧶 🪢Awesome Collab with @vmonje.bsky.social 's group! Video intro HERE!

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Horacio V. Guzman @gocompmodeling.bsky.social · May 23

Indeed exciting and intense conf. with an awesome speaker line-up. And many online questions 🪢🧶🧬🧵🙋#multiscaleRNA #compchem

Alessandra Magistrato @magistratolab.bsky.social · May 21

Almost at the end of the exciting @cecamevents.bsky.social conference 'RNA Modelling across scales' at SISSA, Trieste, Italy! 🎉 Fantastic speakers and great science. Organized with @bussigio.bsky.social @marcodevivo.bsky.social #RNA

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Horacio V. Guzman @gocompmodeling.bsky.social · May 22

This is a great opportiunity to contribute the Quitel2025, with an awesome speakers line-up @ young researchers from South America!!! #goMolecularModelingSA #compchemsky

CECAM @cecamevents.bsky.social · May 21

CECAM is proud to cover the registration fee for 10 early-career researchers from South America to attend the #QUITEL2025 conference in Cartagena, Colombia, on July 14-18, 2025.
➡️ cobo.uniandes.edu.co/index.php/qu...

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Horacio V. Guzman @gocompmodeling.bsky.social · Apr 11

Check out also the 𝟸𝙳𝚊𝚗𝚊𝚕𝚢𝚜𝚒𝚜 𝚝𝚞𝚝𝚘𝚛𝚒𝚊𝚕𝚜 as 𝐽𝑢𝑝𝑦𝑡𝑒𝑟 𝑁𝑏𝑠, we compiled for detailed guidance! in @github.com #compchem #compchemsky github.com/pyF4all/2Dan...
Kudos to: @icmabcsic.bsky.social @ifimacuam.bsky.social @ageinves.bsky.social @cesga-hpc.bsky.social and my collab @vmonje.bsky.social

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Horacio V. Guzman @gocompmodeling.bsky.social · Apr 7

Glad to share and support this just-in-time initiative for storing, managing, sharing and reusing MD-derived data. FAIR principles will also facilitate reproducibility, promote knowledge sharing, among many others powered by AI- methods #compchem #md4all #compchemsky
@icmabcsic.bsky.social

Nature Methods @natmethods.nature.com · Apr 3

A Comment from leaders in the field of biomolecular simulations brings attention to a need to establish FAIR principles for trajectory storage and sharing to favor reuse under an open science paradigm.

www.nature.com/articles/s41...

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Reposted by Horacio V. Guzman

Arne Elofsson @bioinfo.se · Mar 23

meetings.embo.org/event/25-str...

When predictions meet experiments: the next challenges in structural biology

Building on the success of the 2022 EMBO Workshop “When Predictions Meet Experiments: The Future of Structure Determination”, this second edition continues the journey at the interface of computation…

meetings.embo.org

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Reposted by Horacio V. Guzman

westermayrgroup @westermayrgroup.bsky.social · Mar 24

🎓 2 PhD Positions @scadsai.bsky.social
Join "Learning to Explain: Inference of Chemical Reaction Mechanisms"
under Prof. Dr. Julia Westermayr & Prof. Dr. Peter F. Stadler

📍 Leipzig | 75% TV-L E13 | Start: Fall 2025

🔗 Apply: scads.ai/about-us/job... (T14.1 & T14.2)

#PhDPosition #ML #CompChem

Job Offers - ScaDS.AI Dresden/Leipzig

Find your new dream position among the job offers at ScaDS.AI Dresden/Leipzig. We are looking forward to your application!

scads.ai

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Horacio V. Guzman @gocompmodeling.bsky.social · Mar 13

are you studying biophysical phenomena @interfaces, then you can actually already use our newest toolbox! featuring membranes and biopolymers analyses in 2D! 🫓 🏄 🦠🧬🧶 🪢

bioRxiv Biophysics @biorxiv-biophys.bsky.social · Mar 2

2Danalysis: A toolbox for analysis of lipid membranes and biopolymers in two-dimensional space https://www.biorxiv.org/content/10.1101/2025.02.27.640563v1

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Reposted by Horacio V. Guzman

Bussi Lab @bussilab.org · Mar 5

Our research presented today at @pasteur.fr ! @bussigio.bsky.social will give a seminar sharing our approaches to reconstruct #RNA dynamics using #moleculardynamics, #cryoEM, secondary structure prediction, and #DMS probing. Host @bonomimax.bsky.social

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Reposted by Horacio V. Guzman

Alán Aspuru-Guzik @aspuru.bsky.social · Feb 13

Come to #accelerate25 the premier conference on #aiformaterials #selfdrivinglabs #chemsky Please RT

Acceleration Consortium @accelerationc.bsky.social · Feb 12

Registration for the 2025 Accelerate conference in Toronto (Aug 11–14) opens soon! Be the first to know: zr2z766pxls.typeform.com/accelerate25

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Reposted by Horacio V. Guzman

Rommie Amaro @rommieamaro.bsky.social · Feb 28

👀

bioRxiv Microbiology @biorxiv-microbiol.bsky.social · Feb 28

Unveiling the Complete Spectrum of SARS-CoV-2 Fusion Stages by In Situ Cryo-ET https://www.biorxiv.org/content/10.1101/2025.02.25.640151v1

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Horacio V. Guzman @gocompmodeling.bsky.social · Feb 19

extremely useful for huge systems! #HPC powered by 65k... #pushingScalingLimits #compchemsky #compchem

CompBioPhys @compbiophys.bsky.social · Feb 18

🤩 Highly optimized software running on a SOA #HPC cluster provides sufficient #computing power to #simulate #biomolecular systems at the mesoscale of viruses and organelles, and potentially small cells in the near future... Want to know more? Check out our paper 📑 in #JCC 🔗 doi.org/10.1002/jcc....

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Reposted by Horacio V. Guzman

Frank Noe @franknoe.bsky.social · Feb 17

Check out this great BioEmu talk by @jjimenezluna.bsky.social and @yuxie.bsky.social in the VantAI lecture series. Thank you for hosting @mmbronstein.bsky.social @lucanaef.bsky.social

www.youtube.com/watch?v=8vsT...

Emulation of protein equilibrium ensembles with generative deep learning | José Jiménez Luna, Yu Xie

YouTube video by VantAI

www.youtube.com

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Horacio V. Guzman @gocompmodeling.bsky.social · Feb 16

awesome line-up!

Biophysical Society @biophysicalsoc.bsky.social · Feb 14

View the Fifty-Five Molar Stuff in Molecular Interactions: Honoring Adrian Parsegian’s Work satellite meeting program, taking place today at #bps2025

The Biophysical Society > Meetings & Events > Annual Meeting > 2025 Annual Meeting > Program > Satellite Meetings > Fifty-Five Molar Stuff in Molecular Interactions: Honoring Adrian Parsegian’s Work

Friday, February 14, 8:00 AM - 5:00 PM Room 511ABC, Los Angeles Convention Center

buff.ly

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Reposted by Horacio V. Guzman

Rachael Kretsch @rachael-kretsch.bsky.social · Jan 25

Check out our new study on water networks in high resolution cryo-EM RNA data!
@ Chiu Lab @ Das Lab

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Reposted by Horacio V. Guzman

Gräter lab @graeterlab.bsky.social · Jan 24

Grappa is out: pubs.rsc.org/en/content/a...

We are looking forward to feedback from and extensions by the community! Try it out for your favorite (bio)molecules - ligands, post-translational modifications, metal-enzymes, DNA, ...

Grappa – a machine learned molecular mechanics force field

Simulating large molecular systems over long timescales requires force fields that are both accurate and efficient. In recent years, E(3) equivariant neural networks have lifted the tension between co...

pubs.rsc.org

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Reposted by Horacio V. Guzman

Michal Kolář @mhko.bsky.social · Jan 26

Join us in beautiful Prague to study molecular physics. My group is offering a PhD position at UCT Prague, Czechia related to #protein - #RNA interactions. For more details, visit mhko.science/p/positions/ or contact us directly at [email protected].

A view through many Prague towers towards a sunset.

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Horacio V. Guzman @gocompmodeling.bsky.social · Jan 20

Wunderbare Ergebnisse!

Beck Laboratory @becklab.bsky.social · Jan 17

@jpkreysing.bsky.social, @maziarheidari.bsky.social, Vojtech Zila, and others studied HIV-1 capsid nuclear entry in primary human macrophages using STED, CLEM-ET, cryo-ET (#TeamTomo), and MD simulations. First, 3D STED revealed capsid signal accumulation at nuclear pores.

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Horacio V. Guzman @gocompmodeling.bsky.social · Dec 4

What about "longish" RNAs?