Reposted by Horacio V. GuzmanOliver Beckstein [he/him] @orbeckst.bsky.social · 27/08/2026If you're in Chicago at the @acs.org meeting, check out these events with @mdanalysis.bsky.social folks. 041
Reposted by Horacio V. GuzmanTristan Bereau @tbereau.bsky.social · 03/08/2026PhD position in Heidelberg: generating amorphous molecular thin films with diffusion models rather than waiting for MD to equilibrate them — free energies from the same model. With U. Köthe. 3 years, funded. Physics degree required. tristanbereau.com/positions/ge...tristanbereau.comGenerative machine learning for molecular thin films – Tristan Bereau 067
Reposted by Horacio V. GuzmanKresten Lindorff-Larsen @lindorfflarsen.bsky.social · 23/06/2026Come join the new Novo Nordisk Foundation Center for Protein Design as a group leader Cool science in a great scientific environment in wonderful and very family friendly Copenhagen There are two positions that can either be at TT assistant or associate prof level employment.ku.dk/tenure-track...employment.ku.dkTenure-track Assistant Professor or Associate Professor of De novo Protein DesignThe Novo Nordisk Foundation Center for Protein Design at the University of Copenhagen seeks to appoint two new group leaders in de novo protein design from 1 February 2027 or as soon as possible thereafter. These positions will be at the Assistant or Associate Professor level and associated with the Department of Biology (Faculty of Science) or the Department of Drug Design and Pharmacology (Faculty of Health and Medical Sciences). 25363
Horacio V. Guzman @gocompmodeling.bsky.social · 10/05/2026Cool... such a multifunctional molecule also in its ds version!🧬 010
Reposted by Horacio V. GuzmanTanja Weil @weilgroup.bsky.social · 06/05/2026Join us for PSA 2026! We are excited to announce the Peptide Self-Assembly Conference — From Dynamic Structures to Functional Materials — hosted by MPIP & JGU Mainz. 📍 Mainz, Germany | Aug 10–12, 2026 📅 Abstract deadline: June 10 🔗 Register here: www.psacon2026.com #PSA2026 @mpip-mainz.mpg.de 083
Horacio V. Guzman @gocompmodeling.bsky.social · 11/03/2026What's the role of glycans during adsorption on polarizable surfaces? Our work shows "dual capacity" acting either as a glue that enhances glycoprotein adsorption strength through dynamic-tethering patterns or as a blocking element that prevents protein-surface interactions #compchem @pubs.acs.org 161
Reposted by Horacio V. GuzmanSyma Khalid @sykhalid.bsky.social · 10/03/2026Our latest paper in which we use multiple force fields to recover various conformations of the ribose transporter from E. coli. The work of DPhil student Nikolai Juraschko and postdoc Florencia Klein Rocha pubs.acs.org/doi/full/10....pubs.acs.orgCharacterizing the Conformational Dynamics of the Ribose Transporter B Protein in Escherichia coli: Enhanced Sampling via Multiple Force FieldsWe present a molecular dynamics simulation study of the E. coli ribose transporter protein B (RbsB), a conformationally labile protein found in the periplasm of the bacterium. The ribose transporter e... 0197
Reposted by Horacio V. GuzmanMarie Winz @mariewinz.bsky.social · 10/02/2026#PhDPosition open — #RibosomeBiology & #Translation QC 📍 JGU Mainz, Germany 🗓️ Apply by 10 Mar 2026 (or until filled) 🔗 Full details + project options: 👉 ak-winz.pharmazie.uni-mainz.de/jobs/ak-winz.pharmazie.uni-mainz.deJobs/internships/theses | Winz Lab - AK Winz 1810
Reposted by Horacio V. GuzmanAbby Dommer @abbydommer.bsky.social · 11/12/2025My little outlook on how our lungs 🫁 are like the sea 🌊 is finally out in Central Science. Thanks to the support from incredible mentors @rommieamaro.bsky.social and @kprather.bsky.social !! 0128
Horacio V. Guzman @gocompmodeling.bsky.social · 24/11/2025Not yet there for extracting a 3D model from a "picture image" and applying it to our #Proteins, #chompchmesky , #compchem; @Meta the protein was flatenned in the depth direction, otherwise would be great to track some Multiscale model AI mappings, and much more 🧬 🧶🪱 130
Horacio V. Guzman @gocompmodeling.bsky.social · 19/11/2025Thanks to the organizers for giving me the opportunity to present my lab' top-notch RNA models at multiple scales, including polymer physics(⚡ electrostatic and 🍦 mechanical properties) inputs and features of structural predictions with AI 🧵! #RNAtime #RNApuzzles #RNAmultiscaleSims #rnaProtInteract 131
Reposted by Horacio V. GuzmanDr. Fiona @fionachembot.bsky.social · 17/11/2025Are you a postdoc stuck in the US?! Is your research stalled or are you in any way affected by the whims of that unfettered madman? Interested in MD simulations of large biomolecules?! Consider joining me at the University of Freiburg! uni-freiburg.de/frias/call-f...uni-freiburg.deCall for Applications: Early Career Rescue Fellowship – Freiburg Institute for Advanced Studies 01616
Horacio V. Guzman @gocompmodeling.bsky.social · 10/11/2025BA.3.2 in Rheinland Pfalz 🇩🇪... most likely Hessen too... #compchemsky, #compchem, #goViralAgain #physVirology #compVirology 021
Reposted by Horacio V. Guzmanpilarcossio.bsky.social @pilarcossio.bsky.social · 22/10/2025**Job Alert** Exciting postdoc position available: theoretical and experimental cryo-EM studies of flexible biomolecules. Competitive salary, collaborative environment at NYSBC and Flatiron Institute. Please share!! and contact: pcossio@flatironinstitute.org 01418
Horacio V. Guzman @gocompmodeling.bsky.social · 21/10/2025📣 Check out our 𝔾𝕝𝕪𝕔𝕠-𝕒𝕕𝕤𝕠𝕣𝕡𝕥𝕚𝕠𝕟 on 𝔽𝕠𝕞𝕚𝕥𝕖𝕤 Preprint! doi.org/10.1101/2025... We highlight glycans’ dual capacity, to act either as a glue that dominates the whole glycoprotein adsorption strength via tethering, or as a blocking element preventing adsorption 1/2 #glycanResearch #glycanAsGlues 🩹🧵🦠 130
Horacio V. Guzman @gocompmodeling.bsky.social · 10/09/2025After 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! 140
Horacio V. Guzman @gocompmodeling.bsky.social · 06/08/2025awesome, and very helpful to the computational biophysist!🧶🪡 020
Horacio V. Guzman @gocompmodeling.bsky.social · 29/07/2025Participate in Capri, BTW are glycan-protein complexes also tackled? 110
Horacio V. Guzman @gocompmodeling.bsky.social · 30/06/2025Are 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! 073
Horacio V. Guzman @gocompmodeling.bsky.social · 23/05/2025Indeed exciting and intense conf. with an awesome speaker line-up. And many online questions 🪢🧶🧬🧵🙋#multiscaleRNA #compchem 020
Horacio V. Guzman @gocompmodeling.bsky.social · 22/05/2025This is a great opportiunity to contribute the Quitel2025, with an awesome speakers line-up @ young researchers from South America!!! #goMolecularModelingSA #compchemsky 031
Horacio V. Guzman @gocompmodeling.bsky.social · 11/04/2025Check 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.socialgithub.comGitHub - pyF4all/2DanalysisTutorials: Collection of tutorials and examples of the novel MDanalysis library 2Danalysis, for biophysical systemsCollection of tutorials and examples of the novel MDanalysis library 2Danalysis, for biophysical systems - pyF4all/2DanalysisTutorials 040
Horacio V. Guzman @gocompmodeling.bsky.social · 07/04/2025Glad 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 041
Reposted by Horacio V. GuzmanArne Elofsson @handle.invalid · 23/03/2025meetings.embo.org/event/25-str...meetings.embo.orgWhen predictions meet experiments: the next challenges in structural biologyBuilding 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… 0184
Reposted by Horacio V. Guzmanwestermayrgroup @westermayrgroup.bsky.social · 24/03/2025🎓 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 #CompChemscads.aiJob Offers - ScaDS.AI Dresden/LeipzigFind your new dream position among the job offers at ScaDS.AI Dresden/Leipzig. We are looking forward to your application! 021
Horacio V. Guzman @gocompmodeling.bsky.social · 13/03/2025are you studying biophysical phenomena @interfaces, then you can actually already use our newest toolbox! featuring membranes and biopolymers analyses in 2D! 🫓 🏄 🦠🧬🧶 🪢 020
Reposted by Horacio V. GuzmanBussi Lab @bussilab.org · 05/03/2025Our 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 1112
Reposted by Horacio V. GuzmanAlán Aspuru-Guzik @aspuru.bsky.social · 13/02/2025Come to #accelerate25 the premier conference on #aiformaterials #selfdrivinglabs #chemsky Please RT 01713
Horacio V. Guzman @gocompmodeling.bsky.social · 19/02/2025extremely useful for huge systems! #HPC powered by 65k... #pushingScalingLimits #compchemsky #compchem 020
Reposted by Horacio V. GuzmanFrank Noe @franknoe.bsky.social · 17/02/2025Check 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...youtube.comEmulation of protein equilibrium ensembles with generative deep learning | José Jiménez Luna, Yu XieYouTube video by VantAI 03414
Reposted by Horacio V. GuzmanRachael Kretsch @rachael-kretsch.bsky.social · 25/01/2025Check out our new study on water networks in high resolution cryo-EM RNA data! @ Chiu Lab @ Das Lab 3279
Reposted by Horacio V. GuzmanGräter lab @graeterlab.bsky.social · 24/01/2025Grappa 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, ...pubs.rsc.orgGrappa – a machine learned molecular mechanics force fieldSimulating 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... 24210
Reposted by Horacio V. GuzmanMichal Kolář @mhko.bsky.social · 26/01/2025Join 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 positions@mhko.science. 01710