Alessandra Magistrato @magistratolab.bsky.social Research Director, CNR-IOM @ SISSA,
Head of Laboratory for Computational Chemistry and Biochemistry
http://magistratogroup.wordpress.com
Andre Pimentel @profapimentel.bsky.social Dr. André Silva Pimentel is a Professor at PUC-Rio, working in the field of Toxicology, Langmuir films, Drugs, AI, Machine Learning, and Molecular Dynamics
Daniele Varsano @dnlvrs.bsky.social Researcher in physics @CNR-Nano, Italy. PhD @upvehu. Un po' a Roma un po' a Modena, spesso in treno. Running. Once, trumpet player.
Kristian Frandsen @kristianfrandsen.bsky.social Researcher at Technical University of Denmark (DTU) Bioengineering Enzyme Discovery | former Assistant Prof. Univ. of Copenhagen Section for Glycobiology and France's National Research Institute for Agriculture, Food and Environment in Marseille #INRAE
Sara Gabrielli 💻🧬 @saragabrielli.bsky.social Post-Doc in the Department of Theoretical and Computational Biophysics at Max Planck Institute for Multidisciplinary Sciences | MD simulations of the rib-awe-some 💻🔍🧬
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.
Angela Parise @angelaparis3.bsky.social Researcher at National Research Council (CNR-IOM) c/o Scuola Internazionale Superiore di Studi Avanzati (SISSA)
Agnes Noy @agnesnoy.bsky.social Senior Lecturer at the University of York. DNA, protein-DNA, biophysics, modeling, supercoiling, and much more
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
Leopoldo Mejía @leopoldo-mejia.bsky.social Assistant Professor of Physics at UNAB (Chile) • Theoretical Chemistry • https://leopoldo-mejia.github.io/
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
Anderson Lima @andersonlimaaa.bsky.social Professor de Química, Universidade Federal do Pará, Brasil.
Newton International Fellow, University of Bristol, UK.
Erik Zimmer @ezimmer.bsky.social PhD student in Marburg (Ger), integrative structural biology of enzyme complexes, 🦠 energy conservation of methanogenic archaea.
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/
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
Riccardo Capelli @riccardocapelli.bsky.social a physicist with a kink for computational chemistry. Associate professor at the University of Milan. http://compsb.unimi.it
Ville Kaila @kailalab.bsky.social Professor at Stockholm University, Sweden & violinist. We study how enzymes work and how biological systems capture energy.
Margaux Héritier @mheritier.bsky.social Postdoctoral researcher @Institut Pasteur, Paris, structural biology
Alberto Borsatto @albertobors.bsky.social Computational biologist 🖥️🧬🦠
PostDoc @gervasiolab.bsky.social
Stefan Bjelosevic @stefanbjelosevic.bsky.social 🩸 LLS research fellow, Stegmaier Lab @ Dana-Farber Cancer Institute, Broad Institute and Harvard Medical School. 🇦🇺 studying blood cancers, cancer metabolism and CRISPR screening everything under the sun 🧬
Simone Fava @simonefava.bsky.social Master's student in Medicinal Chemistry, UniPG.
My thesis project focuses on Computational Chemistry and Biophysics.
Xiaotong Xu @xiaotong-xu.bsky.social PhD student in Computational Structural Biology @Utrecht University
ML for structural bioinformatics
James Krieger @jameskrieger.bsky.social Senior data scientist in computational structural biology, protein dynamics and cryoem | Marie Sklododowska-Curie fellow w Jose Maria Carazo and Carlos Oscar Sorzano | postdoc w Ivet Bahar
Julie Puyo-Fourtine @juliepuyofourtine.bsky.social Postdoc - Computational Chemistry - Rutgers University, D. York’s Lab - Nucleic Acids 🧬
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
Anthony Chianese @archianese.bsky.social Chemistry professor at Colgate University. Organometallic, homogeneous catalysis especially hydrogenation, mechanisms, kinetics, computation, crystallography
Giulia Morra @giuliamorra.bsky.social Computational biophysics at CNR and sciura things
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
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)
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
Bruno Rizzuti @brunorizzuti.bsky.social Computational biophysicist, affiliated to CNR (Italy) and BIFI (Spain). Currently simulating intrinsically disordered proteins, with other intrinsically disordered interests and passions. Homepage: biomolecules.eu 
Anthony R. Sloan, Ph.D @anthonysloan.bsky.social NCI NRSA Postdoctoral Fellow at @CCLRI and @ClevelandClinic | Lathia Laboratory | Cameron laboratory | @CWRUSOM Alum | Husband |Twin Girl dad | Tweets are my own
#thrombosis #plateletimmunecellcrosstalk #Braintumors #sexdifferencesincancer
Guglielmo Tedeschi @guted.bsky.social Medicinal chemist and PhD student in computational biochemistry (UCT Prague). Trying to balance biomolecular simulations, metadynamics, generative ml, sport and social life.
Arnav Das @arnav7.bsky.social My posts here will be a mishmash of personal opinions and smol curious excursions..
John C @johncasebere.bsky.social Licensed Massage Therapist/Vet/Pets=Tortie Cat & Chihuahua/Sailing/Vintage Audio/a million project and no time
Juriy @juriy.bsky.social Solution Architect | Developer | Gamer | Rider | Runner | 🇺🇦🇨🇭- C Tony Williams @changeringer.bsky.social Retired software engineering academic. In somewhat trying times, trying to maintain perspective by considering how, during his similarly troubled times, Marcus Aurelius seemed to retain his.
Sabina (née Dylan) N. (They/Them) @kpmanstheorem.bsky.social Postdoc in Filizola Lab @ ISMMS | Voelz lab + Folding@home alum | Muay Thai
mia @miarosenfeld.bsky.social machine learning drug discovery scientist @ iambic tx | neuralplexer developer
computational biophysicist, glycoscientist, feminist, jewish, lover of sufjan stevens. she/they 🏳️🌈 ✡︎
📍 sf/nyc
@malezwierzatko.bsky.social @malezwierzatko.bsky.social Computational chemist switching to data science. PhD, here mostly for dogs and raccoons 🦝
Wade Miller @wademiller.bsky.social Education @ Schrödinger | Comp Med Chem School Co-Founder and Organizer (compmedchem.org)
Simone Marini @simonemarini.bsky.social AI, BioML, compbio, data science | pathogens, AMR antimicrobial and antibiotic res, inflammation, CBD, single-cell RNA seq, metagenomics | Asst Prof @ University of Florida, AI advisor @ enGenome | Prev: UMich, UniPV, KyotoU | Immigrant 🇪🇺🇭🇰🇯🇵🇺🇸
Roberta R. Rodrigues @bertacarbene.bsky.social Chemist at Pacific Northwest National Lab. Opinions are my own! 🇧🇷 🇺🇸
Ismail Erol @ismailerol.bsky.social Investigates GPCRs and their dimerization using MD simulations
Jan H. Jensen @janhjensen.bsky.social Computational chemist at the University of Copenhagen #compchem
ACS Publications @pubs.acs.org ACS Publications is proud to publish the most trusted, most cited, and most read collection of journals in the chemical and related sciences.
Explore ACS Publications, a division of @acs.org: pubs.acs.org
Adrian Roitberg @adrianroitberg.bsky.social Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.
@acscomp.bsky.social @acscomp.bsky.social 
Nullius In Verba @nulliusinverba.bsky.social Nullius in Verba is a podcast about science—what it is and what it could be. Hosted by Smriti Mehta (@smritimehta.bsky.social) and Daniël Lakens (@lakens.bsky.social). nulliusinverba.podbean.com
Marco Radi @marcoradi.bsky.social MR Research Lab - Drug Discovery and Sustainable MedChem
#ChemSky 🧪⚡💊
https://sites.google.com/site/marcoradi/home
<Matteo | Cavalleri> <He | Him | Dr> @physicsteo.bsky.social The twitter-er formerly known as @physicsteo. | Recovered Quantum Mechanic, now editing the machines that do the physics.| Brooklynite from 🇮🇹 via 🇪🇸, 🇸🇪 & 🇩🇪. | EiC @Wiley.
Portfolios: http://matteo.cavalleri.eu & https://akanaba.org/teowaits
Nature Chemistry @natchem.nature.com A chemistry journal for cutting-edge research and analysis from @natureportfolio.nature.com. Account run by @nchemgav.bsky.social and @joansp.bsky.social
https://www.nature.com/nchem/
Biki @bikitech.bsky.social 
Alexander Rose @asrose.bsky.social Scientific software engineer & computational structural biologist, #molstar web molecular graphics developer.
Ho Leung Ng @ai-drugs.bsky.social AI/computational drug discovery. Consultant/scientific advisor. Former professor. Berkeley.
Robert M @rmcgibbo.bsky.social Work: GPUs go brrr
Life: with @linmeneguin in Brooklyn
Fernanda Duarte @fjduarte.bsky.social Computational Chemist. Associate Professor at the University of Oxford. Organic Chemistry Fellow at Hertford College. 🇨🇱- H Hai Nguyen @hainguyen.bsky.social Georgetown MSFS Centennial Fellow
Corriere della Sera @mm-corriere-bot.bsky.social BOT che pubblica le news in homepage del sito corriere.it.
Gestito da @marcomaroni.it, NON AFFILIATO alla testata giornalistica.
Sky TG24 @skytg24.bsky.social 
Alexandre Bonvin @amjjbonvin.bsky.social 
@profvlilienfeld.bsky.social @profvlilienfeld.bsky.social 
Christopher Rowley @rowley.bsky.social Associate professor in the Department of Chemistry at Carleton University. www.rowleygroup.ca
Iñaki @inakitunon.bsky.social 
Diego Dal Ben @diegodiego692.bsky.social 
Gianrico Carofiglio @gianrico.bsky.social Autore
Mario Barbatti @mbarbatti.bsky.social Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
M. Eugenio Vazquez @glowsticks.bsky.social Peptide engineering, supramolecular chemistry, DNA binding, caged molecules, luminescent sensors & chem art. "
Tell me, what is it you plan to do / with your one wild and precious life?" —Mary Oliver
ORCID: 0000-0001-7500-985X
http://www.evazquezlab.gal
Vojtech Spiwok @spiwokv.bsky.social Molecular modeling, simulations, metadynamics, machine learning
Jonas Boström @jonasbostrom.bsky.social Seasoned drug designer. Former Big Pharma (AZ). Leading Cheminformatics & Data Science team in US biotech (Treeline). Based in Göteborg, Sweden.
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
<Joaquin | Barroso> @joaquinbarroso.bsky.social CompChemist. Baseball fanatic. Casual cyclist. Dad. #CompChem -> https://joaquinbarroso.com- A Anne Goupil @agoupil.bsky.social In silico drug design
G. Andrés Cisneros @cisnerosres.bsky.social Professor #compbiophys #compchem @UT_Dallas
QM/MM force fields DNA rep./modif., cancer biomarkers, ionic liquids, #SACNAS, views my own, he/él 🇲🇽🇺🇸
Élise Duboué-Dijon @elisedd.bsky.social CNRS researcher working at the Laboratoire de Biochimie Théorique (LBT), in the Institut de biologie physico chimique (IBPC) in Paris.
#RNA #Enzymes #compchem #molecularSimulations
Maria Duca @mariaduca-cnrs.bsky.social CNRS Research Director - Leader of Targeting of Nucleic Acids' Lab https://icn.univ-cotedazur.fr/tna - President of the French Medicinal Chemistry Society (https://www.sct-asso.fr/) and Director of GDR RNA (https://gdr-rna.cnrs.fr/)
Christina Bergonzo 🧬 @cbergonz.bsky.social Research Chemist. Food motivated. Being a scientist/mom takes up all my time. She/her. #compchem Views are my own!
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 🇩🇰
Francesca Santoro @francescasantoro86.bsky.social Professor of EE at RWTH Aachen and Forschungzentrum Jülich| Neuroelectronics&Biointerfaces|
@lstelzl.bsky.social @lstelzl.bsky.social Prof Biomolecular Simulations Uni Mainz. Disordered proteins, nucleic acids and their dynamics, complexes and phase-separated condensates. Integrating simulations and experiments.
Francesca Grisoni @fragrisoni.bsky.social Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
Rocco Meli @rmeli.bsky.social RSE at CSCS (Swiss National Supercomputing Center) | MDAnalysis Core Developer | JOSS Editor | Interested in #HPC, Computational Chemistry, and Materials Science
Antonella Di Pizio @antonelladipizio.bsky.social Associate Professor @TUM, Molecular Modeling group @Leibniz-Institute for Food Systems Biology
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/
Dmitry Baranov @bardmital.bsky.social Assistant Professor in Chemical Physics at Lund University, co-organizer NiNC, Early Career Board Nano Letters, interested in self-assembly and collective phenomena, he/him
Web: dbaranov.com
Work: www.chemphys.lu.se
ORCID: orcid.org/0000-0001-6439-8132
Nature Communications @natcomms.nature.com Nature Communications is an open access journal publishing high-quality research in all areas of the biological, physical, chemical, clinical, social, and Earth sciences.
www.nature.com/ncomms/
Philippe Schwaller @pschwllr.bsky.social Assistant Professor at EPFL, ML/AI-accelerated Chemistry & Synthesis | Educating the next generation of chemists and leading a fantastic team (https://schwallergroup.github.io) | Previously IBM Research / Uni Bern / Uni Cambridge / EPFL | he/his
Rubén A. Fritz. @rbnfritz.bsky.social 
Evi Gkeka @evigkeka.bsky.social Molecular modeler @Sanofi, #AppliedMathematics, #MolecularSimulations and #DrugDesign. Tango dancer and world traveler.
@pallafatu.bsky.social @pallafatu.bsky.social 
Mohsen Sadeghi @mohsensadeghi.bsky.social computational physicist, pretending to do bio/neuro stuff.
Staff Scientist at @zuseinstitute.bsky.social
Opinions expressed are solely my own.
https://mohsensadeghi.github.io
https://linkedin.com/in/drmohsensadeghi
BerndEnsing.bsky.social @berndensing.bsky.social Associate professor in computational chemistry at the University of Amsterdam. Scientific director of the AI4Science Lab @UvA.
Micaela Matta @micaelamatta.bsky.social #compchem | organic semiconductors | functional biomaterials | polymers | @mdanalysis core dev | made in Sardinia 🏳️🌈 she/her
Josh Pottel @jpottel.bsky.social Toddler/Baby Dad | Comp. Chemist | CEO | MolForecaster | previous: PDF @UCSF, PhD @McGillChemistry | 🇨🇦 | Montrealer | Sports fan | all opinions are my own.
Yamil J. Colón-Rodríguez @yamiljcolon.bsky.social Assistant Professor in Chemical and Biomolecular Engineering at the University of Notre Dame. Interested in computational materials discovery and design.
Born and raised in Puerto Rico.
https://www.computationalnano.org/
Tyler R. Josephson 藍泰來 (he/him) @atomslab.bsky.social AI & Theory-Oriented Molecular Science. Asst Prof at UMBC, molecular simulations for the environment + automated reasoning for chemical science and engineering. RT≠PV/n
https://atomslab.github.io
Vittorio Murino @vmurino.bsky.social Professor @UniVerona, PI of AIGO - AI for Good @ Italian Institute of Technology. Computer Vision & Machine Learning scientist, bits of Neuroscience & Psychology