@cuspai.bsky.social @cuspai.bsky.social 
@wellingmax.bsky.social @wellingmax.bsky.social 
Johann Brehmer @johannbrehmer.bsky.social Machine learner & physicist. At CuspAI, I teach machines to discover materials for carbon capture. Previously Qualcomm AI Research, NYU, Heidelberg U.
Aron ⇋ e⁻ @aronwalsh.github.io Virtual Chemist; Liúdramán; Personal Opinions
Akanksha Thawani, PhD @akankshathawani.bsky.social Assistant Professor, Columbia University | Mobile elements, Structural biology and Genome engineering | http://thawanilab.org
Rocío Mercado Oropeza @rociomer.bsky.social Assistant professor in Data Science and AI at Chalmers University of Technology | SciLifeLab Group Leader | PI for AI lab for Molecular Engineering (AIME) | ailab.bio | rociomer.github.io
Juan Viguera Diez @viguera10.bsky.social PhD student at AstraZeneca and Chalmers University of Technology. Machine Learning for natural sciences (Drug discovery).
Markus Deserno @markusdeserno.bsky.social Theoretical and computational biophysicist at Carnegie Mellon University. Loves lipid membranes, music, and art. (he/him) 🇩🇪🇺🇸
The Matter Lab @thematterlab.bsky.social The materials for tomorrow, today.
We are the Matter Lab at the University of Toronto, led by Professor Alán Aspuru-Guzik. Our group works at the interface of theoretical chemistry with physics, computer science, and applied mathematics.
CompBioPhys @compbiophys.bsky.social News and views from the research groups of H. Grubmüller & B. de Groot @MPI-NATGöttingen, Germany, Imprint: https://www.mpinat.mpg.de/en/imprint
Krishnendu Bera @krishnendubera.bsky.social PostDoc @the-gold-lab.bsky.social, @exeter.ac.uk 🇬🇧
Former PostDoc @Magistratolab.bsky.social, CNR-IOM @SISSA, Italy 🇮🇹
PhD @CEITEC.eu @masarykuniversity.bsky.social, Czechia 🇨🇿
CryoEM/ET🔬🦠MD Simulation, IDP/IDR, MetaD, AI/ML👨💻
Details: https://h1.nu/1tsfv
Marta Filizola @martafilizola.bsky.social Computational biophysicist specialized in GPCRs, beta3 integrins, and other membrane proteins. Professor and Dean at Icahn School of Medicine at Mount Sinai.
ꙮ Pavel Janoš ꙮ @pjanos.bsky.social Researcher at CNR-IOM c/o SISSA, Trieste, Italy.
MD, protein/RNA, drug design.
'I didn’t ask to be a multicellular organism.'
https://magistratogroup.wordpress.com/
Alessandra Magistrato @magistratolab.bsky.social Research Director, CNR-IOM @ SISSA,
Head of Laboratory for Computational Chemistry and Biochemistry
http://magistratogroup.wordpress.com
Andrew White 🐦⬛ @andrew.diffuse.one Head of Sci/cofounder at futurehouse.org. Prof of chem eng at UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast
Jakub Rydzewski @jkrd.bsky.social Associate professor at NCU, Poland.
Developing ML methods for atomistic simulations.
Toni @giorginolab.it Computational biophysicist, et al. Opinions expressed are my own.
Davide Donadio @davidedonadio.bsky.social Skier (good), Climber (mediocre), Scientist (for work) @nanophononics on the other platform
@pilarcossio.bsky.social @pilarcossio.bsky.social 
@hummerlab.bsky.social @hummerlab.bsky.social 
Kresten Lindorff-Larsen @lindorfflarsen.bsky.social Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the Linderstrøm-Lang Centre for Protein Science, University of Copenhagen 🇩🇰
Bind Research @bindresearch.org Not-for-profit Focused Research Organisation (FRO) turning disordered proteins into viable drug targets | London, UK | https://bindresearch.org/
Jim Hurley @jimhurley.bsky.social membranes, autophagy, lysosomes, cryo-EM and -ET, Parkinson's
Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com Senior Chemøinformatician at Merck | Postdoc@Broad Institute of MIT and Harvard, Cambridge(MA) | PhD@University of Cambridge(UK) | AI, Image Analysis, bioML, -omics data, and Cell Painting for drug discovery. srijitseal.com/tools
Muneeb Sultan @mmsltn.bsky.social Building new things. Prev. genAI for proteins @abscibio., founding team @insitro, @Stanford PhD, and @Yale alumni. 🇵🇰🇺🇸
Michael Bronstein @mmbronstein.bsky.social DeepMind Professor of AI @Oxford
Scientific Director @Aithyra
Chief Scientist @ProximaBio
ML Lead @ProjectCETI
geometric deep learning, graph neural networks, generative models, molecular design, proteins, bio AI, 🐎 🎶
Cecilia Clementi @cecclementi.bsky.social Scientist & Scuba Diver - I love theoretical physics, sharks, and pygmy seahorses - http://www.instagram.com/clementicecilia - http://www.physik.fu-berlin.de/en/einrichtungen/ag/ag-clementi
Dhiman Ray @dhimanray.bsky.social Assistant Prof. Chemistry and Biochemistry at University of Oregon. Computational Biophysics, Molecular Dynamics Simulations 
Francesca Grisoni @fragrisoni.bsky.social Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social Chemistry professor at CMU. Connecting chemical sciences with AI #MachineLearning and automated experimentation. #tarheels fan. Care: #design, #photography #Ukraine #cats🐈 Rants are mine
John Chodera @jchodera.bsky.social Achira | http://achira.ai
Research laboratory | http://choderalab.org
Antiviral drug discovery for pandemics | http://asapdiscovery.org
OpenADMET | http://openadmet.org
Employer-mandated disclaimer: http://choderalab.org/disclaimer
Pronouns: he/him
Paul Robustelli @paulrobustelli.bsky.social Assistant Professor at Dartmouth College
Computational Biophysics / Disordered Proteins / Molecular Recognition
Giuseppe Carleo @gppcarleo.bsky.social Computational Quantum Physicist - EPFL Lausanne, Switzerland 
Alán Aspuru-Guzik @aspuru.bsky.social Professor of Chemistry and Computer Science
University of Toronto
Faculty member, Vector Institute
Director, Acceleration Consortium
Senior Director of Quantum Chemistry NVIDIA
My views expressed here are personal and are not those of my employers.
Jan H. Jensen @janhjensen.bsky.social Computational chemist at the University of Copenhagen #compchem
Syma Khalid @sykhalid.bsky.social Prof of Computational Microbiology. Oxford Biochemistry & St Anne’s College. Bacterial Cell Envelopes. LFC fan 🌈
Marco De Vivo @marcodevivo.bsky.social Lab Head & Associate Director at @IITalk. Exec Editor of JCTC (@ACSPublications). Director http://www.cecamsimul.eu. Co-Founder @IAMABiotech. Passionate about science!
Alberto Perez @perezlab.bsky.social #compchem assistant professor at #UF chemistry. We work on protein-peptide and protein- nucleic acid structure predictions with integrative biology tools.
Oded Rechavi @odedrechavi.bsky.social Epigenetic Inheritance, Neuroscience & anything biology-related
https://www.odedrechavilab.com/
q.e.d: https://www.qedscience.com
Organizer of “The Woodstock of Biology”
TED: https://shorturl.at/myFTY
Huberman Lab Podcast: https://youtu.be/CDUetQMKM6g
Greg Bowman @drgregbowman.bsky.social Scientist. Christ-follower. Prof @UPenn. Director of Folding@home. Legaly blind. Father.
Folding@home @foldingathome.org We are a group of academic labs around the world that perform biomedical research using the computing power of volunteers
Join us at: http://foldingathome.org
Simon Olsson @smnlssn.bsky.social Associate Professor at Chalmers. AI for molecular simulation and inverse design. WASP Fellow. ELLIS Member. https://userpage.fu-berlin.de/solsson/
COSMO Lab @labcosmo.bsky.social Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning.
Pranam Chatterjee @pranam.bsky.social Designing peptides/proteins to program biology! 🧬💻🧫 Assistant Professor at Duke | Co-Founder of Gameto and UbiquiTx | MIT SB, SM, PhD
CECAM @cecamevents.bsky.social Promoting fundamental research on advanced computational methods
Valerio Rizzi @valeriorizzi.bsky.social Maître-assistant @gervasiolab.bsky.social UniGe | PostDoc
@GroupParrinello IIT ETHZ | PhD @QUBelfast.
Computational physicist, #MolecularDynamics #Biophysics
Umberto Raucci @uraucci.bsky.social Postdoctoral fellow in theoretical and computational chemistry at IIT # machine learning for catalysis, excited state dynamics, enhanced sampling, augmented reality# Post Doc in Parrinello's Group and Martinez lab
Riccardo Capelli @riccardocapelli.bsky.social a physicist with a kink for computational chemistry. Associate professor at the University of Milan. http://compsb.unimi.it
BerndEnsing.bsky.social @berndensing.bsky.social Associate professor in computational chemistry at the University of Amsterdam. Scientific director of the AI4Science Lab @UvA.
Jean-Philip Piquemal @jppiquem.bsky.social Professor of Theoretical Chemistry @sorbonne-universite.fr & Director @lct-umr7616.bsky.social| Co-Founder & CSO @qubit-pharma.bsky.social (My Views)
https://piquemalresearch.com | https://tinker-hp.org
Jérôme Hénin @jerome-henin.eurosky.social CNRS Research Director - Goal: learn more from molecular simulations.
Laboratoire de Biochimie Théorique (LBT)
Institut de Biologie Physico-Chimique (IBPC)
Paris
see also https://mstdn.science/@jerome_henin
@profvlilienfeld.bsky.social @profvlilienfeld.bsky.social 
Derek Lowe @dereklowe.bsky.social Medicinal chemist / chemical biologist, author of “In the Pipeline” at http://science.org/blogs/pipeline. derekb.lowe@gmail.com and on Signal at Dblowe.18
All opinions are mine; I don’t speak for my employer in any way.
Pietro Novelli @pienovelli.bsky.social Physicist, working on machine learning for dynamical systems | reinforcement learning | machine learning for science | transfer learning for atomistic potentials | statistical learning theory & optimization.
Alberto Pérez de Alba Ortíz @apdealbao.bsky.social Assist. Prof. in Computational Soft Matter at U of Amsterdam.
Simulations & AI for molecular & material discovery.
From 🇲🇽.
Joe Greener @jgreener64.bsky.social Computational chemist/structural bioinformatician working on improving molecular simulation at MRC Laboratory of Molecular Biology. jgreener64.github.io
Bingqing Cheng @chengbingqing.bsky.social Computational Materials Science. Assistant Professor at UC Berkeley. 
Barak Hirshberg @barakhirshberg.bsky.social #MolecularSimulations | Associate Professor Tel Aviv University | PostDoc: Rothschild Fellow, Parrinello group, ETH Zurich | PhD: Adams Fellow, w/Benny Gerber, Hebrew University
GiovanniMaria Piccini @giovannimpiccini.bsky.social Associate professor of theoretical chemistry at University of Modena and Reggio Emilia. Interested in molecular simulations, catalysis, reactivity. 
Miłosz Wieczór @milosz-wieczor.bsky.social Comp bio postdoc @ IRB Barcelona. The voice behind Phase Space Invaders, the keystrokes behind Gromologist, the molecular cameraman behind Molywood. 🇵🇱❤️🇺🇦
Roberto Covino @rocovino.bsky.social Professor of Computational Life Science at Goethe University Frankfurt. Computer simulations of biomolecular systems, statistical modeling, and machine learning.
Gräter lab @graeterlab.bsky.social We aim at unraveling the intricacies of molecular perception and designing sensing molecular systems from the ground up. We work at the interface of biophysics, biochemistry, and materials science.
@ Max Planck Institute for Polymer Research, Mainz.
Magnus Petersen @omorfiamorphism.bsky.social DL × Computational Physics: Diffusion/Flow Matching for molecular dynamics, statistical physics for DL and vice versa! Cellular automata hobbyist 👾 Covino Lab
Martin Steinegger 🇺🇦 @martinsteinegger.bsky.social Developing data intensive computational methods • PI @ Seoul National University 🇰🇷 • #FirstGen • he/him • Hauptschüler
Fried Lab JHU @friedlab.bsky.social Asst. Prof of Chemistry🧪 & Biophysics 🧬 at JohnsHopkins; unofficial lab rabbi ✡️; ally 🏳️🌈; #TeamMassSpec. PI of structural proteomics/protein folding/ageing research lab.
Elisa Fadda @elisafadda.bsky.social Associate Professor in the School of Biological Sciences at the University of Southampton, head chef at https://GlycoShape.org, Salem's butler, fucose fanatic #glycotime everyday! She/Her
Michele Invernizzi @invemichele.bsky.social Computational physicist at https://peptone.io
PhD @GroupParrinello, PostDoc @franknoe.bsky.social
Disordered Proteins, AI for Science, Molecular Dynamics, Enhanced Sampling
🔗 https://scholar.google.com/citations?user=fnJktPAAAAAJ
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
A. Reza Mehdipour @rezamehdipour.bsky.social Assist. Prof. Molecular Modelling
Ghent University
#Protein dynamics #MD simulation
Membrane proteins transporters
Prof. F.L. Gervasio Research Group @gervasiolab.bsky.social We are the biomolecular and pharmaceutical modelling laboratory directed by Prof. Gervasio at Uni Geneva and UCL London. We develop enhanced sampling algorithms and perform simulations on systems bio-pharmaceutical interest (GPCRs, kinases, ...)
Giovanni M. Pavan @giovannipavan.bsky.social Scientist | Full Professor at Politecnico di Torino (IT) | ERC Consolidator grantee | Head of CPC Lab: http://www.gmpavanlab.polito.it | Self-assembly, chemical physics, materials science, soft matter, complex systems, emergent properties
RoviraLab @roviralab.bsky.social Carme Rovira research group of computational enzymology.
https://sites.google.com/site/roviralab
https://www.icrea.cat/community/icreas/17551/carme-rovira-virgili/
Sergio Cruz-León @sergiocruzleon.bsky.social Theoretical and computational biophysics | Postdoc at Hummer's lab
@hummerlab.bsky.social | PhD at @mpibp.bsky.social | MSc. @unistuttgart.bsky.social | Physics at @uniandes.bsky.social 🇨🇴 🇩🇪 🇪🇺
Matt Sikora @biophysmatt.bsky.social Head of the Dioscuri Centre for Modelling of Posttranslational Modifications. 
@maziarheidari.bsky.social @maziarheidari.bsky.social Computational (Bio-)Physicist. Postdoc @ Hummer Lab, MPIBP. Previously @MPIP, @ESPCI.
Horacio V. Guzman @gocompmodeling.bsky.social Physicist and engineer, into multiple scale models of proteins/RNA/membranes, polymers, scientific computing, more --> http://tinyurl.com/goCompModeling
Jim Pfaendtner @pfaendtner.bsky.social Dean of Engineering, Faculty, Mental health advocate, @JPhysChem senior editor, PS5 enthusiast, fantasy/sci-fi, CrossFit.
Sthitadhi Maiti @smaiti7.bsky.social Computational Biophysics postdoc exploring CG models of proteins at Univ. Genova, Italy. 🇮🇹
Ph.D. from Arizona State University, USA. 🇺🇸
Amateur artist, photographer, and music enthusiast. 🎨 📷 🎶
Website: smaiti7.github.io
Vojtech Spiwok @spiwokv.bsky.social Molecular modeling, simulations, metadynamics, machine learning
Giulia Palermo @giuliapalermo.bsky.social https://palermolab.com
Giulia Palermo Lab at the University of California, Riverside. Biophysicist passionate about Science & Art! In love with Nucleic Acids and Computational Science!
Giovanni Bussi @bussigio.bsky.social Full professor at SISSA, msb.sissa.it group | Group leader @bussilab.org | Founder and developer @plumed.org
Max Bonomi @bonomimax.bsky.social Head of Computational Structural Biology Lab @pasteur.fr. ERC-CoG 2022. Research Director DR2 @cnrs.bsky.social. Founder/developer @plumed.org
PLUMED @plumed.org #PLUMED is a plugin for enhanced sampling and analysis of #moleculardynamics simulations | plumed.org
Michele Ceriotti @micheleceriotti.bsky.social Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.
Bussi Lab @bussilab.org Research group lead by @bussigio.bsky.social at SISSA | #RNA, #moleculardynamics, and more | web: http://bussilab.org
CSML IIT Lab @pontilgroup.bsky.social Computational Statistics and Machine Learning (CSML) Lab | PI: Massimiliano Pontil | Webpage: csml.iit.it | Active research lines: Learning theory, ML for dynamical systems, ML for science, and optimization.
Timothée Devergne @tdevergne.bsky.social PhD from @sorbonne-universite.fr now postdoc at IIT. Doing machine learning to study physical and chemical transformations(He/Him)
HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social Est. 2010 by physicist & SAP co-founder Klaus Tschira & Klaus Tschira Foundation as a private, non-profit research institute. Basic research in natural, mathematical, and computer sciences. Application areas range from molecular biology to astrophysics.
Christoph Dellago @chhdellago.bsky.social Physicist, professor @univie.ac.at, computational physics, statistical mechanics, machine learning, soft matter, biking, hiking, skiing, *320 ppm. 🇪🇺
Academic Chatter @academic-chatter.bsky.social Join #AcademicChatter for support & community in higher education.
Ardem Patapoutian @ardemp.bskyverified.social Scripps Research Professor. HHMI Investigator. Nobel Prize Physiology or Medicine 2021. Opinions are my own and do not reflect those of my employer.
bioRxiv Biophysics @biorxiv-biophys.bsky.social 
Juergen Koefinger @jkoefinger.bsky.social Theory and computation of soft and condensed matter, dead or alive. Currently project leader at MPI of Biophysics in Frankfurt/Germany. 
Karen Palacio-Rodriguez @karenpalacior.bsky.social Postdoc - Biophysics @mpibp.bsky.social 🇩🇪
PhD - Physics @sorbonne-universite.fr🇫🇷
MSc - Chemistry @ UdeA 🇨🇴
#CompChemBioPhys #StatMech
Biswajit Pradhan @bislightyear.bsky.social Postdoc at MPI Biophysics.
DNA, SMC, Chromosome Organization, Nanoscience, Single-Molecule Biophysics.
https://www.biswajit.de/
Max Planck Institute of Biophysics @mpibp.bsky.social Our research concerns biological membranes with particular emphasis on the structure and function of membrane proteins.
#Biophysics #cryoEM #structuralbiology
Bluesky @bsky.app official Bluesky account (check username👆)
Bugs, feature requests, feedback: support@bsky.app