YAO Pinshuo @yaopinshuo.bsky.social Ph.D. student @UTokyo | de novo protein design | large-scale screening
HP: https://pinshuoyao.github.io/
Jagdish Patel @jagdishpatel.bsky.social Computational Molecular Modeling • AI for Protein Design • Drug Discovery • Opsins • Host-pathogen interactions
Roberto Chica Lab @chicalab.bsky.social Our research group at the University of Ottawa specializes in computational enzyme design.
mysite.science.uottawa.ca/rchica/
@marvelousmit.bsky.social @marvelousmit.bsky.social 
Emilio Gallicchio @emiliogallicchio.bsky.social Professor of Physical Chemistry at Brooklyn College. Binding free energy models for structure-based drug design.
Mark Hahnel @hahnel.org Figshare Founder
Open Source for Science Fund @os4science.org The Open Source for Science Fund is a multi-donor fund by Renaissance Philanthropy dedicated to sustaining and evolving the open source software stack that underpins science.
Jordan Shivers @jordanlshivers.bsky.social computational soft matter & biological physics
jordanshivers.github.io
@monaozma.bsky.social @monaozma.bsky.social 
Ron Cvek @roncv.bsky.social PhD @ Oxford | Cheminformatics & Computational Chemistry
diogo @dnub.eurosky.social ataraxia
pen(Taka) @iwatobipen.bsky.social Medicinal Chemist, Cheminformatician, Runner and ?
Nate @nateduty.bsky.social Old white guy. Retired Calif Deputy Sheriff, vet, Fort Bliss, TX, 1962-1965, Spec 5. HQ Combat Support Group. Don't care for liars, thieves, or bigots like Trump. Car nut, old drag racer. 🚫 No hot ladies (too old). Christians OK 🚫 Phony Christians 🚫 Chats
Martin Buttenschoen @buttenschoen.uk Interested in small molecule drug design.
@subzero0995.bsky.social @subzero0995.bsky.social 
Jack Smith @jacks1016.bsky.social Semi-retired computational quantum chemist and material scientist with an extensive (50+ years) background in research computing and a new passion for developing AI/ML applications.
Johannes Margraf @jtmargraf.bsky.social All day I dream about science!
Computational chemistry, machine learning, electronic structure.
https://margraf.uni-bayreuth.de
SBGrid Consortium @sbgrid.bsky.social Harvard-based consortium curating structural biology (CryoEM Crystallography NMR Tomography) software, hosting educational webinars, supporting reproducibility, validation, reprocessing of data, & access to scientific resources sbgrid.org / biogrids.org
Phil Biggin @philbiggin.bsky.social Computational biochemist, interested in neuronal signalling at the atomic level and computer-aided drug design. All views my own.
bigginlab.web.ox.ac.uk
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
@nehadelsalamouny.bsky.social @nehadelsalamouny.bsky.social 
Thea K. Schulze @tkschulze.bsky.social Postdoc, Biomolecular Simulation, MRC Laboratory of Molecular Biology
Max Stetina @maxstetina.bsky.social MSc Biochem from UCT Prague | incoming DPhil student at University of Oxford | bioinformatics & protein design
Charlie Vaske @seavaske.com Genomics, bioinformatics, diagnostics, cancer, housing, and transit. Слава Україні https://orcid.org/0000-0001-8151-6612
Thomas Guiziou @cen0ten.bsky.social PhD Student in the Vorobieva Lab in de novo protein design
David De Sancho @daviddesancho.bsky.social Protein Folder, father of two, married to @mariacaffarel.bsky.social
at UPV-EHU and DIPC
https://sites.google.com/view/biokt
Anton Ber @deutschgraf.bsky.social 
@onomatopoet.bsky.social @onomatopoet.bsky.social 
Michael Gillhofer @michaelgillhofer.bsky.social PhD student in Computational Chemistry @MMS BOKU, Vienna
Steve Trudeau @stevetrudeau.bsky.social 
Yimin Chen @yiminchen.bsky.social My major is computational chemistry. I currently focus on elucidating mechanisms of some early transition metal-catalyzed reaction.
Avogadro Project @avogadro.cc Advanced molecule editor and visualizer
Building the next generation of molecular and materials visualization and editing tools
https://avogadro.cc/
https://discuss.avogadro.cc/
Geoff Hutchison @geoffhutchison.net Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop Avogadro + OpenBabel to find new materials for energy applications @Pitt_Chemistry he/him
Rajeev @rajeev1305.bsky.social PhD Student #Biophysics & Computational Chemistry @MMDL (Molecular Modelling & Design Lab), Pusan National University, Busan, South Korea
David Ryan Koes @dkoes.compstruct.org Removing barriers to computational drug discovery one bit at a time. Associate Professor in Computational and Systems Biology at the University of Pittsburgh.
https://bits.csb.pitt.edu/
Saúl J. Flores @florus11.bsky.social biochemistry phd candidate @ the university of maryland
@eruijsena.bsky.social @eruijsena.bsky.social 
@zachocean.bsky.social @zachocean.bsky.social 
Ora Furman Lab @furmanlab.bsky.social Structural basis of peptide-mediated protein communication and function @hebrewuniversity.bsky.social
Member of @rosettacommons.bsky.social
Posts by lab members.
Long-Hung Pham @longhung-pham.bsky.social PhD student in computational Chemical Biology at Imperial College London- L @ljmartin.bsky.social @ljmartin.bsky.social Computational chemistry, cso at openbench https://ljmartin.github.io
James Fitzwater @jsfitzwater.bsky.social Absorb, wonder, help improve where I can, and marvel . . . valid until the Pittsburgh Penguins move onto bsky and hold my attention hostage. [update: invalidated]
mostironyalowed @mostironyalowed.bsky.social futurist : Who am I?
What am I?
As I AM, I AM NOT!
As We Are: I AM.
Seriously, inspired by the likes of Socrates, Budda, Tao, Jesus, Twain,.Fresco...guess I might be just smart enough to know how dumb I'am
Gio @giomaz.bsky.social - C Craig Robb @craigrobb.bsky.social Structural biology and protein engineering
Koushik @koushikn.bsky.social Data Scientist Generative AI @BayerCropScience. ML for Plant Biology. PhD @IowaStateUniversity https://www.linkedin.com/in/koushik-nagasubramanian/
Chi Kit Ng @chikitng.bsky.social 👨💻PhD candidate in the Cole Group @colegroupncl.bsky.social
💊Structure-based & Computational Drug Discovery
📍Newcastle University, Newcastle upon Tyne, UK
@ibrm2020.bsky.social @ibrm2020.bsky.social 
Radoslav Krivak @rdkbio.bsky.social 🧬 Structural Bioinformatics | 💊 AI/ML for Drug Discovery | Geometric DL
🔬 @iocbprague.bsky.social, prev. PhD @cusbg.bsky.social @mff.unikarlova.cuni.cz
Vincent Voelz @voelzlab.bsky.social Professor of Chemistry at Temple University. Molecular simulation, stat mech, ML/DL, protein dynamics, biophysics, Bayesian inference, computational design, drug discovery.
https://orcid.org/0000-0002-1054-2124
https://sites.temple.edu/voelzlab
Joey Cendagorta @jrcendagorta.bsky.social Scientist, Deep Learning and Molecular Modeling
James O’Brien @jamesob2.bsky.social PhD Student studying #compchem in the Trujillo Research Group at The University of Manchester
Matt Hurley @llabrword.bsky.social CompChem at Stealth, previously @nestedtx, @voelzlab and @foldingathome
(he/him)
Sabina (née Dylan) N. (They/Them) @kpmanstheorem.bsky.social Postdoc in Filizola Lab @ ISMMS | Voelz lab + Folding@home alum | Muay Thai
Andrew MacBride @amacbride.com biology + computers + a leavening of snark | 👨👨👧👧🏳️🌈| nanomedicine | cancer genomics 🧬 | ML | biomaterials | #compchem #matsky #chemsky #ai4science #materialsinformatics #md | startups | @Cal 🐻 @Stanford @UniversityOfOxford @OxfordNano (swimsf on the Bad Place)
麻婆豆腐 @dangzome.bsky.social ½寿命
Chenggong惠成功 @chenggonghui.bsky.social Postdoc in deGroot Lab in MPI, Göttingen
@danihares.bsky.social @danihares.bsky.social Computational Chemist @ Francis Crick Institute. #WomenInSTEM
📍 London, UK.
Matthew O'Meara @maom.bsky.social Assistant Professor at UMich with a focus on computational pharmacology (he/him)
Andrea Dimitracopoulos @andrea.dimitracopoulos.me Co-Founder & Product Lead at DeepMirror | Empowering Scientists with Transformative Products | PhD in Physics & Biology
David L. Dotson @dotsdl.bsky.social physicist, entrepreneur, alchemist; opinions my own 🏳️🌈
Kutand Alkım Bayer @kutandalkim.bsky.social IZTECH-Chemistry, I like to be Polymath(learning different subjects), Polygot(interested in the learning different languages) comments and opinions are my own RT≠ is not endorsement (he/him)
FACCTs @faccts.de FACCTs is bringing the ORCA quantum chemistry software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries.
Visit us at www.faccts.de
OpenFold @openfold.io Democratizing BioAI
Rosetta Commons @rosettacommons.bsky.social Rosetta Commons is the central hub for hundreds of developers and scientists from ~100 universities and laboratories to contribute and share the Rosetta source code.
Rosetta Commons members develop software improvements to solve their unique queries.
Karel "CaCO3" Berka @krapnik.bsky.social theoretical physical chemist, molecular modeller and chem- and bioinformatician - #AlphaFoldology enthusiast
Palacky University Olomouc, ORCID:0000-0001-9472-2589 #boardgamegeek (tweets my own) #ELIXIRCZ
Fredrik Svensson @fredriksvensson.bsky.social Computational Chemist
Joe Greener @jgreener64.bsky.social Computational chemist/structural bioinformatician working on improving molecular simulation at MRC Laboratory of Molecular Biology. jgreener64.github.io
Josh Horton @jthorton22.bsky.social 
Clive D (OSDE) @osde8info.bsky.social open source desktop advocate
all #posts #blus are #imho
and #follows #likes #reblus #reposts etc are not #endorsements
bio at osde.info
DMs blocked by UK gov OSA
Allen Seung Hwan Lee @allenshlee.bsky.social Metabolic engineer and synthetic biologist. Assistant Professor @ UMN CEMS
@joerloeffler.bsky.social @joerloeffler.bsky.social Postdoctoral researcher at Scripps Research focused on protein dynamics and design. Passionate about understanding how proteins move and interact. Sports enthusiast. 🏈🧗🏃
Alexander Matthew Payne @keysandcompounds.bsky.social Ph.D Student at http://chembio.triiprograms.org
Interested in the history of life, language, and science.
https://apayne97.github.io/
NYAGIM @nyagim.bsky.social Posting new opportunities & breakthroughs in & around NYC.
https://www.meetup.com/new-york-area-group-for-informatics-and-modeling/
Managed by @markpolk.io.
Ethan Holz @ethanholz.com Research Software Engineer
Professionally building better infrastructure for molecular software.
Thoughts my own
Colorado based
Thomas Löhr @tlhr.bsky.social Head of Compute / Co-founder @bindresearch.org | Simulations, Drug Design, Disordered Proteins
@royhaolin.bsky.social @royhaolin.bsky.social 
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!
Mark Polk @handle.invalid Biophysics for cancer therapies in the Chodera Lab at Memorial Sloan Kettering Cancer Center. Views are my own.
Cas @caswognum.nl Trying to teach machines (and myself) drug discovery at Valence Labs and Polaris.
www.caswognum.nl
🇳🇱🇨🇦
Thomas La Cour Jansen @lacour.bsky.social Physics, Chemistry, Nanoscience
Ultrafast Computational Spectroscopy
http://computationalspectroscopy.eu
Groningen
Maria Kurnikova @mariak630.bsky.social Professor, Carnegie Mellon University; computational biophysicist and theoretical chemist
Richard Copley @rcply.bsky.social
biomolecules and non-bilaterians
Ahmet Sarigun @asarigun.bsky.social curious explorer - https://asarigun.github.io/
Ben Fry @benf549.bsky.social PhD Candidate @ Harvard Biophysics Program
ML for Small-Molecule Binding Protein Design
Polizzi Lab at Dana Farber Cancer Institute
benf549.github.io
🏳️🌈
Ashley Mitchell @yoshanuikabundi.me Comp chem, chemical biology, software development and science communication at Open Force Field @openforcefield.org @omsf.io
She/her 🩷💛🩵 🏳️⚧️ 🏳️🌈
Raphaël Chaleil @blastwizard.bsky.social Computational Protein Engineer at @basecamp-research.bsky.social
zach cp @zcpbx.bsky.social Biochem, microbio, and protein science. Learning Rust for machine learning.
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
Aphroditi Maria Zaki @aphroditizaki.bsky.social 
Oliver Beckstein [he/him] @orbeckst.bsky.social Computational biophysicists at Arizona State University; MDAnalysis (@MDAnalysis.bsky.social) developer. Opinions my own.
Research Group: https://becksteinlab.physics.asu.edu/
MDAnalysis: https://www.mdanalysis.org/
Bakary N'tji Diallo @diallobakary4.bsky.social #bioinformatics #insilico #compbio #CADD #drugdiscovery #Cheminformatics #compchem #datascience #molecularmodelling #MachineLearning
linkedin.com/in/bakarydiallo
researchgate.net/profile/Bakary-Diallo
@ichxw.bsky.social @ichxw.bsky.social 
Will Poole @willgpoole.bsky.social Computational chemist interested in designing and using tools for structure based drug design. Free energies are cool
Marcelo D. Polêto @mdpoleto.bsky.social Computational Biochemist @ Universidade Federal de Viçosa (UFV) | Molecular simulations | Drude Polarizable FF | Enzyme engineering | Sustainability ♻️. Trying to grow my own agroforestry system 🌳🫒. he/him 🇧🇷
https://mdpoleto.github.io/
Jing Huang @jing-huang.bsky.social Protein Modeler and Drug Hunter at Westlake University, Hangzhou, China
Jeevan GC @jeevangc.bsky.social Computational Scientist.
https://jeevanbgc.github.io
@tomsyme.bsky.social @tomsyme.bsky.social 
Pavan Behara @pavanbehara.bsky.social Computational chemist, doing CADD @ UCI's Center for Neurotherapeutics. Former chemical engineer turned drug hunter. Buffalonian at heart! Go Bills!!! 🏈
💊🧠💻🧬🧪
#తెలుగోడు
Disclaimer: Views expressed are my own, not those of my employer or affiliates.
Kurt Thorn @kurtthorn.bsky.social Chief Technology Officer at ArrePath. Using Chemistry ML, imaging, and computer vision to accelerate antibiotic discovery and design. Formerly Zymergen, Nikon Imaging Center at UCSF.
https://thornlab.dev