Karges Group @kargesgroup.bsky.social Full Professor in Biophysics at Faculty of Medicine, Ruhr University Bochum, Group Website: https://www.kargesgroup.ruhr-uni-bochum.de/
Juan Carlos Sancho-García @quantumalicante.bsky.social **Quantum & Computational Chemistry
#compchem #theochem #DFT 💻🌍💭
**Scientist and Senior Lecturer at University of #Alicante, Spain. 🇪🇸☀️🥘🍤🍊⛵️⛱️
**Editor-in-Chief of Theor. Chem. Acc. (founded in 1962, the oldest journal in our field) Views are my own
CTM Group @group-ctm.bsky.social Chemical Theory and Modelling Group: Development and Application of theoretical tools to describe complex chemical phenomena @psl-univ.bsky.social @chimieparistechpsl.bsky.social #iCLeHS
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)
Ulrich Schwarz @ulrichschwarz.bsky.social Theoretical biophysicist who loves to talk about science.
Homepage https://www.thphys.uni-heidelberg.de/~biophys/
Universität Heidelberg @uniheidelberg.bsky.social Die 1386 gegründete Ruperto Carola ist eine der forschungsstärksten in Europa.
Josh Hollett @saltyelectron.bsky.social NBBBOTID | theoretical chemist | UWin chemistry | @saltyelectron@qoto.org |
Saving the world two electrons at a time...and sports, sports are cool too! (he/him)
Manas Mahale @manasmahale.bsky.social Cheminformatics | manasmahale.in
Dr. Jules Marien @marienj.bsky.social Postdoc in biophysics/biochemistry. Molecular dynamist. Tamer of IDRs and IDPs since 2022
(They/Them)
https://scholar.google.com/citations?user=4S1QUPgAAAAJ&hl=fr
Antoine Taly @ataly.bsky.social Researcher at CNRS interested in the biophysics of proteins. Modelling membrane proteins and their interaction with ligands. Working in Paris.
Pierpaolo Morgante (He/His) @piermorgante.bsky.social Content development editor @rsc.org focusing on North America. Theoretical chemist. LEGO fan. #DFT #compchem #chemistry #DogsofCompChem #Quantum
Proud member of #ChemSky
Personal+work account (all views my own)
📍Washington, DC metro area
Dr. Hab Sophie Sacquin-Mora @sacquin-mo.eurosky.social CNRS research director modelling #Proteins.
Lab. Biochimie Théorique UMR8266, IBPC
#WomanInSTEM
Website: https://lbt.cnrs.fr/people/sophie-sacquin-mora
Popularization blog (in french): https://topoftheprots.com/
Varinia Bernales @variniabernales.bsky.social 
Julia Robinson @robinson-julia.bsky.social *On maternity leave*
Award-winning journalist / Science Correspondent @ChemistryWorld / DM or robinsonj@rsc.org
CMU School of Computer Science @scsatcmu.bsky.social The School of Computer Science at Carnegie Mellon University is one of the world's premier institutions for CS and robotics research and education. We build useful stuff that works!
The Colombo Lab @lab-colombo.bsky.social Computational Chemistry and Biology Lab; Proteins and Small Molecules; Always Room for Improvement.
Dept. of Chemistry, University of Pavia, Italy
Hannes Schihada @hschihada.bsky.social Research group leader at Uni Marburg interested in #GPCR- and #Gprotein -mediated signal transduction #Hiring
Mike Feigin 🥯 @mikefeigin.bsky.social Associate Professor and Director of Graduate Studies. GPCRs and gene regulation in pancreatic cancer. Posts are mine.
GiovanniMaria Piccini @giovannimpiccini.bsky.social Associate professor of theoretical chemistry at University of Modena and Reggio Emilia. Interested in molecular simulations, catalysis, reactivity. 
Simon Lichtinger @simonlichtinger.bsky.social Computational biophysicist - enhanced sampling molecular dynamics, membrane proteins, computer-aided drug discovery
Further interests in philosophy of science, science communication and jazz music
Riccardo Capelli @riccardocapelli.bsky.social a physicist with a kink for computational chemistry. Associate professor at the University of Milan. http://compsb.unimi.it
Antonella Di Pizio @antonelladipizio.bsky.social Associate Professor @TUM, Molecular Modeling group @Leibniz-Institute for Food Systems Biology
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🤔
Aitomistic @aitomistic.com Elevate your aitomistic simulations
Atomistic simulations ⦁ Powered by AI
Christina Athanasiou @cathanasiou.bsky.social Senior Computational Scientist @astrazeneca.bsky.social
Computational Structural Biology | Molecular Modeling | Molecular dynamics | De novo design
Johannes Stöckelmaier @jostoe.bsky.social Computational Chemist, Design Enthusiast and Scientific Software Engineer.
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 🇩🇰
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
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, 🐎 🎶
Bettina Lier @bettinalier.bsky.social #compchem PhD candidate @mms-boku.bsky.social, Vienna
into science, music, handlettering, macro/tele photography, mechanical keyboards, (board) gaming & linux ricing
Dr. Fiona @fionachembot.bsky.social she/her; I use computers to study chemistry! Junior Professor in the Institute of Physical Chemistry at Albert-Ludwigs Universität Freiburg!
Michael Gillhofer @michaelgillhofer.bsky.social PhD student in Computational Chemistry @MMS BOKU, Vienna
Prof. Natalie Fey @nataliefeynls.bsky.social Professor @BristolChem, gardener, drinker of tea, Labrador executive assistant. Counts in German & swears in English. She/Her. All views my own.
ORCID: 0000-0003-0609-475X
Bingqing Cheng @chengbingqing.bsky.social Computational Materials Science. Assistant Professor at UC Berkeley. 
Hugh Burton @hughburton.com Theoretical chemist studying the quantum properties of molecules.
@royalsociety.org University Research Fellow at @uclchemistry.bsky.social.
Previously @downingcollege.bsky.social and @newcollegeoxf.bsky.social.
www.hughburton.com | x.com/HughGABurton
John Gardner @jla-gardner.bsky.social ML for Potential Energy Surfaces
PhD student at Oxford
Former Microsoft AI4Science Intern
Tim Schramm @tkschramm.bsky.social Graduate Researcher in Computational Chemistry @grimmelab.bsky.social
| M. Sc. @rwth.bsky.social and with M. Head-Gordon @ucberkeleyofficial.bsky.social 
Ilias Oikonomou @oikonomou.bsky.social PhD candidate in @Theochem_TUD
Working on defects and heterostructures of 2D materials
🇬🇷
Rafał Szabla @rafal-szabla.bsky.social Theoretical Chemist; Group leader at the Wrocław University of Science and Technology; interested in biomolecular (photo)chemistry, photoinduced electron transfer and prebiotic chemistry; avid runner;
https://iam.pwr.edu.pl/people/rafal-szabla
Annina Lieberherr @azlieberherr.bsky.social PhD student at University of Oxford (Manolopoulos group)
Sandra Gómez @quimicafisica1.bsky.social Assistant Prof at UAM, Spain -- simulating light induced processes. Ethymology fan, foodie, mum, puzzle lover and against academic precarity (FJI, Eurodoc) ʕ·͡ᴥ·ʔ
Hendrik Weiske @hweiske6.bsky.social Father, Computational Chemist and Blender enthusiast.
Gerald Monard @gmonard.bsky.social Computational Chemistry & High-Performance Computing.
Former Professor & HPC Center Director.
Now Senior Microsoft Quantum Engineer.
Views are my own.
Todd Martinez @toddjmartinez.bsky.social Theoretical chemist.
Emilio Martinez-Nunez @emiliomart.bsky.social Professor of Physical Chemistry
Computational and Theoretical Chemist
https://github.com/emartineznunez/AutoMeKin
Marc Hamilton Garner @marchgarner.bsky.social Theoretical and computational chemist. Molecular Electronics, MO theory, Hund's rule violations and more. @carlsbergfondet.bsky.social
Postdoc at the Technical University of Denmark.
Reymond Group @reymondgroup.bsky.social Research Group at DCBP UniBern
#Cheminformatics | #PeptideChemistry | #SmallMolecule | #DrugDiscovery | #OrganicSynthesis
Chris de Graaf @cdg-gpcr.bsky.social Head of Computational Drug Discovery and Data Science at Structure Therapeutics | GPCR | SBDD | CADD | Cheminformatics | Computational Chemistry | Medicinal Chemistry | Drug Design
The Gomes Group at Carnegie Mellon University @gpggrp.bsky.social the gomes group @ CMU
chemical {designers | engineers | data scientists} crunching bits into matter since Jan 2022.
Paola Gori Giorgi @paolagorigiorgi.bsky.social Computational/Theoretical/Mathematical Chemistry | Electrons | Density Functional Theory | presently at Microsoft Research AI for Science
D Flemming Hansen @dflemminghansen.bsky.social Passion for dynamics, relaxation, and deep learning. Group leader @crick.ac.uk and Professor and chair of NMR spectroscopy @ucl.ac.uk
https://www.ucl.ac.uk/hansen-lab/
Julia Westermayr @jwestermayr.bsky.social Assistant Prof. for machine learning in theoretical chemistry at Leipzig University & passionate runner
Joe Greener @jgreener64.bsky.social Computational chemist/structural bioinformatician working on improving molecular simulation at MRC Laboratory of Molecular Biology. jgreener64.github.io
Digital Chemistry Laboratory @dcl-ethz.bsky.social Digital Chemistry Laboratory at @ethzurich.bsky.social
Part of NCCR Catalysis and ETH AI Center
Led by @valencekjell.com
Accelerating chemical discovery with digital tools
Bannwarth Lab @bannwarthlab.bsky.social Theoretical Chemistry Research Group @ RWTH Aachen University
https://ipc.rwth-aachen.de/Bannwarth
Pavlo O. Dral @pavlodral.bsky.social Prof. at Xiamen University and NCU in Torun, co-founder of Aitomistic.
Researcher and educator in AI-enhanced computational chemistry.
All opinions expressed are mine and do not necessarily reflect those of my employers.
Oriana Brea @orianabrean.bsky.social Computational Chemist at Johnson & Johnson Innovative Medicine. Opinions are my own.
#CompChem
Roberto Peverati @rpeverati.bsky.social Associate Professor of Computational and Theoretical Chemistry – Florida Institute of Technology
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.
Xin@QuantumChem @xinquantum.bsky.social Computational Chemist
@NJ/NYC
Github: https://github.com/XinChenQC
Jan Řezáč @jrezac.bsky.social Computational chemist at @iocbprague.bsky.social
Sofia Kiriakidi @s0fk1.bsky.social Computational Chemist 👩💻
Drug Design, Catalysis, DFT, MD |
@horizoneu.bsky.social MSCA Fellow at NovaMechanics Ltd, 🇨🇾
Alister Goodfellow @aligoodfellow.bsky.social Comp chemist - reactivity, catalyst design and molecular graphics. 🏴🇩🇰
PDRA - Uni of Copenhagen | PDRA - Uni of Leeds | PhD - Uni of St Andrews
Fabio Zuccotto @zuccotto.bsky.social Dad, Drug Developer, Computational Chemist at Vertex Pharmaceuticals, Drug Discovery. Views my own.
Rui P. Ribeiro @rui-ribeiro.bsky.social Comp. Biochemistry & Cheminformatics | github.com/rribeiro-sci
Kihara Laboratory @kiharalab.bsky.social Bioinformatics, protein modeling, cryoEM, drug screening, function prediction. Daisuke Kihara, professor of Biol/CS, Purdue U. https://kiharalab.org/ YouTube: http://alturl.com/gxvah 
Laboratoire de Chimie Théorique @lct-umr7616.bsky.social The Laboratoire de Chimie Théorique (LCT) is a joint
@sorbonne-universite.fr & @cnrs.fr Research Center (UMR 7616) dedicated to Theoretical & Computational Chemistry (Paris, France).
#compchem #compchemsky #chemsky
Evi Gkeka @evigkeka.bsky.social Molecular modeler @Sanofi, #AppliedMathematics, #MolecularSimulations and #DrugDesign. Tango dancer and world traveler.
Jason Yim @jyim.bsky.social PhD candidate at MIT CSAIL. Generative models, protein design.
Ex: DeepMind, Microsoft, Instagram, Johns Hopkins University.
Website: https://people.csail.mit.edu/jyim/
X: https://x.com/json_yim
Avner Schlessinger @schlessingerlab.bsky.social Computational biologist. Professor. Co-Director of Disease Mechanisms and Therapeutics Training Area
https://www.schlessingerlab.org/
@IcahnMountSinai. Opinions are mine. #DrugDesign #AI
Matthieu Montes @matthieumontes.bsky.social Professor detached@CNRS/Sorbonne Université, director of CQSB lab UMR7238, ERC and IUF fellow, co-founder@qubit_pharma, structural bioinformatics, Chemoinformatics, molecular visualization
Oxford Biology @biology.ox.ac.uk Exploring the breadth and diversity of life on Earth 🌍 Updates on research & teaching at @ox.ac.uk. Merged from Departments of Plant Sciences and Zoology August 2022
www.biology.ox.ac.uk
Bluesky @bsky.app official Bluesky account (check username👆)
Bugs, feature requests, feedback: support@bsky.app
Rob Klose @robklose.bsky.social Professor of Genetics
Department of Biochemistry
University of Oxford
kloselab.co.uk
MRC Laboratory of Molecular Biology @mrclmb.ac.uk The MRC Laboratory of Molecular Biology aims to understand biological processes at the molecular level to help tackle human health problems and disease.
Institut Pasteur | 130 years of biomedical research @pasteur.fr 👩🔬 The Institut Pasteur is a leading global biomedical research institute.
🔬 Explore with us the frontiers of biomedical research
🧪 Follow us to uncover groundbreaking discoveries
🌍 Join a community passionate about progress and open science
DNA Topology Lab @dnatopologylab.bsky.social DNA Topology Lab @ Department of Biochemistry
University of Oxford
"We adore chaos because we love to produce order." -M. C. Escher
CompSciOxford @compscioxford.bsky.social Department of Computer Science at the University of Oxford, sharing news on our outstanding research across a broad spectrum of computer science #CompSciOxford
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.
Stephen J. Tucker @profkalium.bsky.social Ion Channel Biophysics, K+ Channels, OXION PhD programme, University of Oxford, Dept Physics & Kavli Institute for Nanoscience Discovery etc... But all views my own
Proceedings of the National Academy of Sciences @pnas.org Explore groundbreaking news and research from PNAS, one of the world's most-cited scientific journals. Discover its sibling journal, @pnasnexus.org, both official research journals of the U.S. National Academy of Sciences. Visit www.pnas.org for more info.
Frances Arnold @francesarnold.bsky.social Engineer/scientist, Nobel Prize in Chemistry 2018
I love evolution, enzymes, protein engineering, AI
Linus Pauling Professor at Caltech
Antoni Wrobel @agwrobel.bsky.social Structural biologist and group leader at the Oxford Biochemistry Department. Interested in principles and molecular mechanisms underlying viral evolution and host changes.
The Francis Crick Institute @crick.ac.uk We're the Crick, a biomedical research lab in London working to figure out how life works.
Home to more than 2,000 scientists and a free public exhibition space.
https://www.crick.ac.uk/
Ben Lehner @benlehner.bsky.social Solve Biology
Head of Generative Genomics, Wellcome Sanger Institute, Cambridge, UK
Systems + Synthetic Biology, CRG, Barcelona
http://barcelonacollaboratorium.com http://allox.bio https://www.sanger.ac.uk/programme/generative-and-synthetic-genomics/
Garrett M. Morris @garrettmm.bsky.social Physicochemical deep learning, protein-ligand docking and scoring, computer-aided drug discovery and design, cheminformatics. All views my own. @morrislab@fediscience.org 🏳️🌈🇪🇺
Theoretical Biophysics @theobiophysics.bsky.social Theoretical Biophysics, Quantitative Biology
https://sites.google.com/view/theoreticalbiophysics/theoretical-biophysics
Our podcast
https://creators.spotify.com/pod/show/theobiophysics
An online seminar series
https://sites.google.com/view/popdyn/home
Levental Lab @leventallab.bsky.social laboratory on structure and functions of living membranes lab at University of Virginia ; also posts occasional nonsense - views our own, not UVA
www.levental-lab.com
Torsten Schwede @torstenschwede.bsky.social Computational Structural Biology @biozentrum.unibas.ch @unibas.ch @sib.swiss | President of the Research Council of the @snsf-ch.bsky.social | Team Science 🧪
ChemShell @chemshell.bsky.social ChemShell is a computational chemistry environment for multiscale QM/MM modelling developed at STFC Daresbury Laboratory and collaborating groups around the world.
Website: chemshell.org
Michelle Sahai 🦋 @menzmas.bsky.social Computational biochemist at Brunel University of London 🇬🇧
Editor of the Journal of Molecular Graphics and Modelling (JMGM) https://tinyurl.com/tjmgm
#CompChemURG: bindingsites.co.uk
Conrado Pedebos @conradopedebos.bsky.social Computational Biochem/Biophys/Pharm Scientist
PDRA at LAMMASU-UFCSPA
Richard Cooper @richcoop.bsky.social Dog walker | Head of ML at Oxford Drug Design | Crystallographer | A.Prof in Inorganic Chemistry at Oxford
University of Oxford @ox.ac.uk Welcome to our official account 👋 Follow for the latest news, research and updates about life at Oxford.
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
Claire Colas @cccolas.bsky.social Computational structural biologist
Michael Shirts @michaelshirts.bsky.social Professor, University of Colorado Boulder, molecular modeling and computational infrastructure
Oxford Biochemistry @oxfordbiochemistry.bsky.social The Department of Biochemistry at the University of Oxford
Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk Research group led by Charlotte Deane, based in the Department of Statistics at the University of Oxford.
https://opig.stats.ox.ac.uk/
Andreas Haahr Larsen @andreashlarsen.bsky.social Assistant Professor at the Niels Bohr Institute, University of Copenhagen. Molecular model builder, lipid affectionado, SAXS and SANS entusiast... and proud dad of two wonderful kids :-)