Computational biophysicist, MD research scientist, & German Wednesday enthusiast. 🇮🇪🇬🇧🇪🇺
@lilyminium.bsky.social
Science lead at Open Force Field. Core developer at MDAnalysis. Has never met an opossum.
@jpoverington.bsky.social
Work at drughunter.com - Drug Discovery, Data Science, Cheminformatics, Computational Medicinal Chemistry, Drug Repositioning, Structural Bioinformatics, CADD, SaaS, DaaS, AI/ML https://scholar.google.com/citations?user=52VMFeYAAAAJ
@anunesalves.bsky.social
Computational biochemist (ligand binding kinetics, crowding) Junior group leader at the Technical University Berlin Associate editor at the Journal of Chemical Information and Modeling Brazilian in Germany
@faccts.de
FACCTs is bringing the ORCA software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries. Visit us at www.faccts.de
@carlocamilloni.bsky.social
Associate professor at the University of Milano. Biophysics and computational structural biology. http://compsb.unimi.it Developer @plumed.org https://orcid.org/0000-0002-9923-8590
@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/
@janashenlab.bsky.social
Covalent drug discovery; structure-function and structure-activity relationships; pH-responsive materials
@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 🏳️🌈🇪🇺
@rdkit.bsky.social
https://www.rdkit.org https://github.com/rdkit/rdkit
@woody-sherman.bsky.social
* Founder and Chief Innovation Officer at Psivant Therapeutics * Past: * Chief Computational Scientist at Roivant * Founding CSO at Silicon Therapeutics * Global Head, Applications Science at Schrodinger * Education: * PhD MIT * BA & BS UCSB
@bmix.bsky.social
Prof at UC San Diego's Skaggs School of Pharmacy and Pharmaceutical Sciences. Concepts, tools and methods: stat thermo of binding. GIST. BindingDB. Open Force Field. Other stuff... Does some ceramics, i.e., potters around.
@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
@greglandrum.bsky.social
Cheminformatician, developer, climber, runner, hiker, cook ORCID: 0000-0001-6279-4481
@adrianroitberg.bsky.social
Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.
@drgregbowman.bsky.social
Scientist. Christ-follower. Prof @UPenn. Director of Folding@home. Legaly blind. Father.
@dicksonlab.bsky.social
Developing new methods for molecular simulation. Likes: Data vis; ML; drug discovery; semicolons.
@ltchong.bsky.social
Professor @pittchem.bsky.social. Computational biophysicist, leading @westpasoftware.bsky.social development for weighted ensemble rare-event sampling, Amber force field developer.
@omsf.io
the Open Molecular Software Foundation is dedicated to the creation and implementation of the latest and greatest open comp.chem software.
@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!
@adambaskerville.bsky.social
Quantum physicist @Kvantify Enjoys science, mathematics, strength sports and astrophotography https://adambaskerville.github.io/
@biorxiv-biophys.bsky.social
@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
@bonomimax.bsky.social
Head of Computational Structural Biology Lab @pasteur.fr. ERC-CoG 2022. Research Director DR2 @cnrs.bsky.social. Founder/developer @plumed.org
@hannes-stark.bsky.social
MIT PhD Student - ML for biomolecules - https://hannes-stark.com/
@sarahrauscher.bsky.social
Associate Professor, Computational biophysicist @UofT http://rauscher-group.physics.utoronto.ca
@lolandlab.bsky.social
Structure-function relationship on transport proteins. Fluorescence, cryo-EM and molecular pharmacology on neurotransmitter:sodium symporters.
@jhsmit.bsky.social
Biophysics; protein dynamics/folding using smFRET and HDX-MS. https://jhsmit.org/
@sykhalid.bsky.social
Prof of Computational Microbiology. Oxford Biochemistry & St Anne’s College. Bacterial Cell Envelopes. LFC fan 🌈
@recursionpharma.bsky.social
Decoding biology to radically improve lives. The industrial revolution of drug discovery is here. Learn more at recursion.com #techbio
@hannahbruce.bsky.social
Computational Chemist Charm Tx Eats food, runs places, sits on sofa
@alexmackerell.bsky.social
Computational chemistry and biophysics. Empirical force fields, CADD, RNA, carbohydrates, and methods developments including SILCS (site identification by ligand competitive saturation, See SilcsBio LLC) and enhanced-sampling GCMC. And I surf....
@justinlemkulvt.bsky.social
Associate Professor of Biochemistry at Virginia Tech. Comp Chem, CADD, and Drude FF contributor. Opinions my own. Go Hokies!
@elisabethbik.bsky.social
Science integrity consultant and crowdfunded volunteer, PhD. Ex-Stanford University. Maddox Prize/Einstein F Award winner NL/USA/SFO. #ImageForensics @MicrobiomDigest on X. Blog: ScienceIntegrityDigest.com Support me: https://www.patreon.com/elisabethbik
@lucyrforrest.bsky.social
All my own voice. I do not represent my employer. Scientist, sailor, lover of symmetry 🌈
@nathanbroon.bsky.social
Director of #DigitalChemistry #Healx living in #Aarhus #Denmark • Chair @UKQSAR • FRSA FRSB FRSC https://scholar.google.com/citations?user=N0-4IgoAAAAJ
@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
@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
@franknoe.bsky.social
Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
@rommieamaro.bsky.social
Professor at UC San Diego. Computational biophysics, biology, chemistry. Multiscale modeler. Viruses. Cancer. Co-Director of the Airborne Institute.
@gdefabritiis.bsky.social
Computer Simulations, Computational Intelligence, AI. Research professor and interim CEO acellera.com. Lab: www.compscience.org Scholar: https://scholar.google.com/citations?hl=en&user=-_kX4kMAAAAJ&view_op=list_works&sortby=pubdate
@rolanddunbrack.bsky.social
Computational structural biologist @Fox Chase Cancer Center. Gay, out & proud since 1986. I support transgender & nonbinary people. Living with CLL/SLL. Video about my LGBTQ+ life in science: https://tinyurl.com/45srzjdw. Views my own, not my employer's.
@lynnkamerlin.bsky.social
Professor, Georgia Tech Chemistry and Biochemistry. Georgia Research Alliance Eminent Scholar. Senior Editor, Protein Science. American, British, Swedish, Kurdish. Pianist, photographer, foodie, dreamer, mom. She/they. #FirstGen #MENA All views my own
@jppiquem.bsky.social
Professor of Theoretical Chemistry @sorbonne-universite.fr & Head @lct-umr7616.bsky.social| Co-Founder & CSO @qubit-pharma.bsky.social| FRSC (My Views) #compchem #HPC #quantumcomputing #machinelearning | https://piquemalresearch.com | https://tinker-hp.org
@martinvoegele.bsky.social
Computational Biophysicist, Amateur Photographer, History+Language Nerd. All views my own. Website: https://martinvoegele.github.io/
@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
@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.