Irfan Alibay @ialibay.bsky.social Generally lost in alchemical space - Science Lead at Open Free Energy, Emeritus MDAnalysis core developer.
You can find me on github at @IAlibay and sometimes in Macclesfield (UK).
Duncan Yellowlees @dyellowlees.bsky.social Academic Research talks don't have to be shit!
✨ Researcher trainer
✨ Opinions about research culture
✨ Maker and fan of anything with dragons
Supporting phd's/ecrs/academics to do better more engaged and effective presentations
| He/Him
H. K. KHARTABIL @khartab.bsky.social 🇫🇷Theoretical & Computational Chemist ⚛️🧪🖥️🧬| #CompChem | #CompBio | #HPC | #ChemSky | #CompChemSky| #University | #Chemistry | #BioChemistry | #ESR | #URCA | #ComESR | #VeilleESR | #VeilleEN
Personal account💻📱
🧐Reposts are reflections, not endorsements🤔
J. Jasmin Güven @jjguven.bsky.social Research associate in comp chem in the Mulholland group at Bristol.
Working on better modellinh methods for metalloenzymes.
Love public engagement & teaching
https://jasmin-guven.github.io
Pronouns: She/her
All views are my own.
CoSeC - Computational Science Centre for Research Communities @cosec-ukri.bsky.social The Computational Science Centre for Research Communities (CoSeC) supports the advancement of scientific research by developing and strengthening software to analyse and solve increasingly complex problems in multiple disciplines.
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
Chemical Science @chemicalscience.rsc.org Flagship journal for @rsc.org. Open access, all topics in chemistry. chemicalscience-rsc@rsc.org 🌐 Website: rsc.li/chemscience
Will Thompson @will-thompson96.bsky.social Research fellow investigating chemotherapeutic agents against drug resistant tuberculosis
📍👨🔬 UCL
🎓🐔 Newcastle University
🎓🐣 University of Bath
🎓🥚 University of Glasgow
🤓📚📷🎨📽️🏳️🌈 he/him
linkedin.com/in/will-thompson96/
Larry Miller, PhD @larrymillerphd.bsky.social Biochemist 🧪| Helping Life Scientists & Sci Communicators Translate Expertise into Career Opportunity | UCLA PhD + NIH Alum | Pharma R&D @GSK + @AstraZeneca 💊 | #SciComm Director ✍️|Career Coach | Star Trek | Sherlock Holmes | 🎹 | https://larrymillerphd.com
Communications Chemistry @commschem.nature.com An open access @NaturePortfolio journal publishing high-quality primary research articles, reviews and commentary in all areas of the chemical sciences.
nature.com/commschem/
PlayMolecule @playmolecule.com playmolecule.org - Molecular discovery for everyone.
@drughunter.com @drughunter.com 
@macinchem.bsky.social @macinchem.bsky.social 
Atanas G. Atanasov @atanas-g-atanasov.bsky.social Lead Editor: #CRBIOTECH & #ExplorDHT | Chair of Pharmacology at DPU | Prof of IGAB-PAS | Leader: #DHPSP & #INPST | Author of #HealthHacksThatWork
🔗Web: https://digitalpatientsafety.com/atanas-g-atanasov/
Joe Greener @jgreener64.bsky.social Computational chemist/structural bioinformatician working on improving molecular simulation at MRC Laboratory of Molecular Biology. jgreener64.github.io
@suneelbvs.bsky.social @suneelbvs.bsky.social 
Girinath Pillai @giribio.bsky.social Lead Scientist @ Sygnature Discovery, UK
Drug Discovery, CompChem, MD, Gen AI, Knime, ML
Posts are personal!
🇮🇳🇺🇸🇪🇪🇬🇧
Ewa Pastorczak @ewapastorczak.bsky.social Doing quantum chemistry at @p_lodz_pl
@phdtoothfairy.bsky.social @phdtoothfairy.bsky.social 
The Turing Way @turingway.bsky.social Community-driven & collaboratively developed open source guides for Data Science & Research: http://the-turing-way.org 📚 
Sumaya Alrawe @alrawe-sumaya.bsky.social Graduated from Newcastle University in MSc Drug Chemistry. Honored to receive the Best Dissertation Prize for achieving the highest mark in my cohort. I had the privilege to collaborate with exceptional academics to publish my first paper in (Crystals)!
John Gardner @jla-gardner.bsky.social ML for Potential Energy Surfaces
PhD student at Oxford
Former Microsoft AI4Science Intern
Charlie Harris @harrisbio.bsky.social PhD @ Cambridge in AI for Bio | Interested in generative modelling for drug discovery and science policy 🇬🇧
Website: cch1999.github.io
Blog: harrisbio.substack.com
Database: harrisbio.notion.site
Matteo Degiacomi @matteodegiacomi.bsky.social Reader at the University of Edinburgh, using molecular dynamics and machine learning to study protein structure and assembly.
Angela Parise @angelaparis3.bsky.social Researcher at National Research Council (CNR-IOM) c/o Scuola Internazionale Superiore di Studi Avanzati (SISSA)
Thomas Coudrat @tomsilico.bsky.social Computational chemistry and AI for drug design in biotech #compchem | CSIRO, Melbourne AU
Karina Pikalyova @karinapikalyova.bsky.social PhD in #chemoinformatics from the University of Strasbourg, passionate about de novo design of biologics and small molecules #AI #peptides #AMR #compchem #bioinfo 🧬🧫🧪💊
Currently a Research AI Engineer for chemistry
Views are my own
Newcastle University @newcastleuni.bsky.social Official page for Newcastle University UK, a founding member of the Russell Group of Research intensive universities, and a Global Top 140 university. #WeAreNCL
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
Pablo Arantes @pabloarantes.bsky.social #compchem Research Scientist at Vita Nova Institute- Work interests mostly related to the simulation of biomolecular systems - Lead developer of the Making It Rain, Cloud-Bind and ParametrizANI projects.
https://pablo-arantes.github.io/
Albert Vilella, PhD. @albertvilella.bsky.social Bioinformatics Scientist / Next Generation Sequencing, Single Cell and Spatial Biology, Next Generation Proteomics, Liquid Biopsy, SynBio, AI/ML in biotech // http://albertvilella.substack.com
Esther Johnston @estherjohnston.bsky.social Scientific Editor of @chemicalscience.rsc.org, the flagship journal of the Royal Society of Chemistry. Diamond open access! | bioinorganic chemist | PhD Stanford University, post-doc University of York | wife, mum, gardener, Christian | she/her
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)
Mario Barbatti @mbarbatti.bsky.social Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
Jozef Fulop @fulopj.bsky.social Computational Drug Discovery | PhD student in Bioinformatics & Cheminformatics at UCT Prague | AI for drug development |
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
Frank 🎃hex🎃 Vázquez @fxvzquez.bsky.social Theorist, usually chemistry.
Assoc. Prof @StJohnsU Chemistry.
Pronouns: he/him/él
Mexican American. 🇲🇽🇺🇸
Kushol Gupta @guptapenn.bsky.social Research Assistant Professor of Biochemistry and Biophysics | Director, Johnson Foundation Biophysics and Structural Biology Core Facility | Univ of PA | he/him
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
Manas Mahale @manasmahale.bsky.social Cheminformatics | manasmahale.in
Ben Cree @creechem.bsky.social Postdoc @ Daniel Cole group, Newcastle University. Computational Chemistry.
Eric Boittier @ericboittier.bsky.social deep learning enjoyer, science evangelist
Angelo Pugliese @angelo-rules.bsky.social Assoc. Director, #compchem 💻, #drugdesign 💊, #digital📱, #ml💡, #ai 🧠. In temporal order: son, Italian, brother, husband, father, British and not much more. Juventus FC. Gym goer. Views my own.
Lars Schaaf @larsschaaf.bsky.social PhD student @Cambridge_Uni • ML on Graphs for Molecules & Materials • ML force fields and atomic simulations
Marion H Emmert @emmertlab.bsky.social Chemist, lover of catalysis, high-throughput experimentation, drug discovery & development. DEI enthusiast and cat lady. Former professor. German ex-pat.
#chemsky #merckchemistry #HTE
https://www.linkedin.com/in/marionemmert?utm_source=share
Harry Moore @jhmchem.bsky.social PhD candidate @ Cambridge Engineering | Founding engineer @ Angstrom AI | ML & molecular simulation 
Joe Wallace @josephwallace.bsky.social Post-Doc @ IIT, Genova (De Vivo Lab) Using computational methods to study nanoparticles. Lover of Gromacs and Python.
Previously @ Uni Liverpool, A*STAR, Paris Sorbonne Nord
Michail Papadourakis @mpapadourakis.bsky.social Postdoctoral associate in Hellenic Mediterranean University and Biomedical Research Foundation Academy of Athens. Passionate for computational drug design
Jordan Dorrell @stochasticchemist.bsky.social Postdoc in the Day Group at the University of Southampton. Interested in methods for crystal structure prediction!
Andreas Bender @andreasbender.bsky.social Cheminformatics, bioinformatics, drug discovery, computational life sciences etc - for more information please see https://andreasbender.de
Proud editor of the 'Cambridge Cheminformatics Newsletter' - please see https://www.drugdiscovery.net 
Pat Walters @wpwalters.bsky.social Cheminformatics, ML, Drug Discovery
Julia Kaczmarek ⌬ @juliak4czm4r3k.bsky.social PhD student in Trujillo Research Group at University of Manchester
⚔︎⚢
#RealTimeChem @realtimechem.bsky.social Official home for the #Chemistry community #RealTimeChem (part of #ChemSky). Connecting chemists (on the old place since 2012. Curated by @doctorgalactic.bsky.social.
Join in by sharing chemistry using #RealTimeChem.
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)
F.P. Morgan @ecfp.bsky.social cheminformatics @ všcht prague
https://molecular.beauty
github.com/dehaenw
Miranda-Quintana group @groupquintana.bsky.social RamO(N) Miranda Quintana
Theoretical and Computational chemistry
https://quintana.chem.ufl.edu/
#chemsky #compchemsky
Francesca Grisoni @fragrisoni.bsky.social Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
Gianni De Fabritiis @gdefabritiis.bsky.social ON SABBATICAL. Computer Simulations, Computational Intelligence, AI.
Research professor and CEO https://www.acellera.com.
Scholar: https://scholar.google.com/citations?hl=en&user=-_kX4kMAAAAJ&view_op=list_works&sortby=pubdate
Nathan Brown @nathanbroon.bsky.social Cheminformatics scientist living in #Aarhus #Denmark • Chair @UKQSAR • FRSA FRSB FRSC
https://scholar.google.com/citations?user=N0-4IgoAAAAJ
Ben Blaiszik @benblaiszik.bsky.social Group Leader - AI and data infrastructure for science at
UChicago/Argonne/Globus - UofIllinois alum. materials, chemistry, physics. Opinions are my own.🤖🔬
Alex Dickson @dicksonlab.bsky.social Developing new methods for molecular simulation. Likes: Data vis; ML; drug discovery; semicolons.
Theoretical Chemistry at TU Dresden @theochemtud.bsky.social Chair of Theoretical Chemistry at TU Dresden of prof. Thomas Heine @thomasheine.bsky.social with two junior groups: Dorothea Golze Emmy-Noether / ERC starting group PhotoMat and Rico Friedrich DRESDEN-concept group AutoMaT
Justin Lemkul @justinlemkulvt.bsky.social Associate Professor of Biochemistry at Virginia Tech. Comp Chem, CADD, and Drude FF contributor. Opinions my own. Go Hokies!
Vojtech Spiwok @spiwokv.bsky.social Molecular modeling, simulations, metadynamics, machine learning
Mohammed AlQuraishi @moalquraishi.bsky.social MLing biomolecules en route to structural systems biology. Asst Prof of Systems Biology @Columbia. Prev. @Harvard SysBio; @Stanford Genetics, Stats.
Jonas Verhellen @jonasverhellen.bsky.social Theoretical physicist with a PhD in neuroscience. Postdoc in protein-protein interactions. Into art, science, and innovation.
Currently: Copenhagen 🇩🇰
Previously: Oslo 🇳🇴, London 🇬🇧, Brussels 🇧🇪
AlphaFold Unofficial @alphafold.bsky.social Unofficial account exploring the intersection of biology, molecules, science, AI and protein folding with AlphaFold.
Heidi Klem @drklemistry.bsky.social Incoming assistant professor @LSU | NRC postdoc @NIST |@acscomp councilor | #womeninSTEM #compchem #biocatalysis | she/her
Gautam @gautammalik.bsky.social Research Assistant at University of Cambridge | Exploring deep learning in biology with big dreams of using AI to make drug discovery a little less complicated!🧬🖥️
FJ @farzanejp.bsky.social Postdoc @data science and AI division
#compchem/Molecular Dynamics/Protein Simulation #GROMACS #AI4science
#chemsky #compchemsky
Acellera @acellera.com AI-Driven Drug Engineering: Building a discovery factory.
www.acellera.com
Toni Mey @ppxasjsm.bsky.social Senior lecturer in Computational Biophysics @ University of Edinburgh molecular simulations, machine learning and baking enthusiasts. Occasional mathematics outreach
@hkossen.bsky.social @hkossen.bsky.social 
Dr. Suzannah Harnor @sjharnor.bsky.social 👩🔬Medicinal & Organic Chemist
🥼Senior Research Associate at Cancer Research Horizons Newcastle
🩷Board Member at Business Beats Cancer NE
💷Fundraiser for Cancer Research UK
🐾Golden retriever mama
⚽Newcastle United supporter
📍Newcastle, UK
PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social Posting about all things related to Data-driven research and the Physical Sciences Data Infrastructure programme funded by EPSRC.
www.psdi.ac.uk
Hopkinson Research Group @hopkinsonlab.bsky.social Organic chemistry research group at Newcastle University @chemistryncl.bsky.social. Formerly at the FU Berlin.
The ASAP Discovery Consortium @asapdiscovery.bsky.social ASAP uses artificial intelligence and computational chemistry to accelerate structure-based open science antiviral drug discovery and deliver oral antivirals for pandemics with the goal of global, equitable, and affordable access.
Wellcome Trust @wellcometrust.bsky.social Supporting research to transform life, health and wellbeing. We’re taking on three urgent health challenges: mental health, climate change & infectious disease.
UK Research and Innovation @ukri.org The UK’s largest public funder of research. Our mission is to advance knowledge, improve lives and drive growth.
#FundedByYou
Also autoposting to @news.ukri.org, @funding.ukri.org, @blogs.ukri.org and @events.ukri.org. Topic specific feeds coming soon!
Hocine El Khaoudi @hocine-el-khaoudi.bsky.social PhD student in Computer-Aided Drug Discovery @ Kolb Lab (Uni Marburg) . Passionate about MD and drug discovery.
Working on GPCRs and NTDs.
Views are on my own
ACS BIOL: Division of Biochemistry and Chemical Biology @acsbiol.bsky.social Flagship social media of the @amerchemsociety Division of Biochemistry and Chemical Biology.
Memes to make life better for chemistry and chemistry better for life.
acsbiol.org | acsbiol.bsky.social | x.com/ACS_DivBioChem
#ChemicalBiology #ChemBio #ACSBIOL
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
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!
scikit-learn @scikit-learn.org Machine learning in Python • Open Source
https://scikit-learn.org
matplotlib @matplotlib.org Python library for creating static, animated, & interactive visualizations. Chat w/ us @ https://discourse.matplotlib.org/
Sponsored by NumFocus
Lily Wang @lilyminium.bsky.social Science lead at Open Force Field. Core developer at MDAnalysis. Has never met an opossum.
@bieniekmat.bsky.social @bieniekmat.bsky.social 
OMSF @omsf.io the Open Molecular Software Foundation is dedicated to the creation and implementation of the latest and greatest open comp.chem software.
MoSMed CDT @mosmedcdt.bsky.social The Molecular Sciences for Medicine (MoSMed) Centre for Doctoral Training (CDT) is an EPSRC funded joint venture between Newcastle and Durham Universities aiming to train the next generation of researchers at the interface between chemistry and medicine.
CRUK Newcastle Drug Discovery Group @nudrugdiscovery.bsky.social Based at Newcastle University, part of Cancer Research Horizons [ https://t.ly/AAaA7 ] & the Newcastle Centre for Cancer. We are an integrated team of medicinal chemists, pharmacologists, cancer & structural biologists developing anticancer therapies
Mike Waring @mikewaring.bsky.social Professor of Medicinal Chemistry at Newcastle University and Cancer Research Horizons, Director of MoSMed CDT and Editor-in-Chief of RSC Medicinal Chemistry
Wyatt Yue @wyattyue.bsky.social Professor of #structuralbiology at Newcastle University.
Heart says x-ray but mind starts to say EM.
#Drugdiscovery in #rarediseases, esp Inborn errors of metabolism
Yue Lab: https://www.staff.ncl.ac.uk/yuelab/
Alchemy @aichemyhub.bsky.social Alchemy is a UK hub with a mission to transform the Chemistry – AI interface through world-leading research and catalyse the adoption of AI in experimental and computational chemistry.
Royal Society of Chemistry @rsc.org With the future of the world in the balance, everyone has a role to play in making it better. How will you join in?
🌐 Website: www.rsc.org
Mohamed (Moha) Ateia Ibrahim @moha-ateia.bsky.social Group Leader at US EPA | Adj. Asst. Prof. at Rice University - Treating emerging water contaminants; e.g. #PFAS , PFAS-free Alternatives, #microplastics and others
(he/him) - Opinions are my own
@charlie-adams.bsky.social @charlie-adams.bsky.social 
Finlay Clark @finlayclark.bsky.social Postdoc in the Cole Group at Newcastle University interested in molecular mechanics force field development and free energy calculations.
Newcastle Chemistry @chemistryncl.bsky.social Official BlueSky feed from Chemistry at Newcastle University
https://www.ncl.ac.uk/nes/our-disciplines/chemistry/