John Chodera (he/him)

@jchodera

Changing drug discovery one ratio of partition functions at a time. Heading up antiviral discovery for pandemics: asapdiscovery.org choderalab.org/disclaimer

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Matthew O’Meara

@momeara

Assistant professor at UMich with a focus on computational pharmacology. (he/him)

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J. Am. Chem. Soc.

@j_a_c_s

Research, news, and information from the Journal of the American Chemical Society.

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Olexandr Isayev 🇺🇦🇺🇸

@olexandr

#CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine

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Shubin Liu

@shubinliu

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Andrew White 🐦‍⬛

@andrewwhite01

Head of Sci/cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast

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Adrian Roitberg 🏳️‍⚧️

@adrian_roitberg

Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.

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Matteo Degiacomi

@matteodegiacomi

Reader at the University of Edinburgh, using molecular dynamics and machine learning to study protein structure and assembly.

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Michael Bronstein @ICLR2025 🇸🇬

@mmbronstein

#DeepMind Professor of #AI @UniofOxford / Director #AITHYRA / Chief Scientist @vant_ai / michael-bronstein.medium.com (opinions are mine) 🤖🧪🧬🎶🐎

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Ken Lo

@bhkenlo

Chair Professor of Inorganic Chemistry @CityUChem @CityUHongKong l Associate Editor @InorgChem | Former Director @CityUTED | Chair @ISPPCC

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Rafal Wiewiora

@rafwiewiora

Computational Chemist at @RoivantDiscover | @Foldingathome researcher | PhD @choderalab @MSKCancerCenter

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Yunan Luo

@luoyunan

Assistant Professor at GaTech CSE. Computational Biology and Machine Learning. UIUC PhD'21. Tsinghua BS'16

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Caroline Lynn Kamerlin 🇺🇸🇬🇧🇸🇪🇮🇷 ☀️ 🇪🇺🦓

@kamerlinlab

Prof @GT_Chem @ga_res_alliance Eminent Scholar. Pianist, photographer, foodie, dreamer, mom. She/they. #FirstGen #MENA ❤️☀️💚 All views my own.

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Trevor GrandPre

@myphysicsvoyage

Incoming Assistant Professor @WashUPhysics • Postdoc @phybiofunc and @SchmidtFellows• PhD @BerkeleyPhysics • 🙋🏾‍♂️follow #myphysicsvoyage (he/his/him)

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Jim Pfaendtner

@jimpfaendtner

Dean of Engineering, Faculty, Mental health advocate, @JPhysChem senior editor, PS5 enthusiast, fantasy/sci-fi.

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Pat Rufino

@ruthrufino

PhD in CS; Professor and researcher at University of São Paulo @usponline; AI+Drug Discovery; XAI

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Huan Sun (OSU)

@hhsun1

Associate Professor (with Tenure) in CSE, endowed CoE Innovation Scholar, CoP Co-Director @OSUbigdata, The Ohio State University (NLP and Data Mining)

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Jean-Philip Piquemal

@jppiquem

Professor of Theoretical Chemistry @ Sorbonne Université & Director @ LCT (UMR 7616 CNRS)| CSO & co-founder @qubit_pharma| FRSC (Views are mine) #compchem

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Jenny Stein

@jendotherm

PhD chemist, horn player, cat owner, and Sr manager for technical content at @Materials_MRS All views my own. She/her/hers

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Gant Laborde 🇺🇦

@gantlaborde

🧳 CIO @infinite_red 🧠 Google Dev Expert 👀 Immortal (so far) ⚛ Chain React 🍸MS MVP 🧙‍Open Sourcerer 📕 Author 🤯Top Psychic 2035

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Gene Regulation

@generegulation

Gene regulation community updates. #chromatin #nucleosome #TFbinding #CTCF #cancer #epigenetics. Personal views do not represent @TeifLab or @uni_of_essex

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Greg Bowman

@drgregbowman

Imperfect Christ-follower desperately searching for truth, especially through science. Prof @Penn. Director @foldingathome. Legally blind. Father

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David Juergens

@davejuergens

Machine learning for molecular design. Currently: Postdoc @StanfordUChem @mtzlab. PhD @UWMolES @UWproteindesign. B.S. @UWChemE

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Konstantinos Zinelis

@kzinelis

Postdoc at @MITCheme• PhD @MatarLab @ImperialChemEng @nnf_lab @MITMechE• Computational Non-Newtonian Fluid Dynamics • mRNA encapsulation

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The Journal of Physical Chemistry

@jphyschem

Editors of JPC L, JPC A, JPC B, & JPC C sharing physical chemistry research articles, analysis, news, & more—Part of the @ACSPublications portfolio of journals

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Jorge Bravo

@bravo_abad

Prof. of Physics @UAM_Madrid | Profesor Titular. PI of the AI for Materials Lab | Director del Laboratorio de IA para Materiales.

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limmerlab

@limmerlab

Theoretical chemistry group @UCB_Chemistry, working in the areas of quantum dynamics and nonequilibrium statistical mechanics cchem.berkeley.edu/dtlgrp/

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zhou Yu

@zhou_yu_ai

Founder of Arklex.ai, Associate Professor at Columbia. Making ai agent design and deployment easy and fast! Forbes 30 under 30.

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Matthew Eddy

@mattheweddylab

GPCRs, Membrane Proteins, Structural Biology: Assistant Prof. of Chemistry at University of Florida and affiliated faculty of National High Magnetic Field Lab

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Kresten Lindorff-Larsen

@lindorfflarsen

Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the #LinderstrømLang Centre for Protein Science 🇩🇰

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Kinjal Majumder

@majumder_lab

We study how viruses interact with the host genome. Institute for Molecular Virology; University of Wisconsin-Madison #virology

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Ismail Celik, PhD

@ismaile78852423

Researcher / Medicinal Chemistry / Faculty of Pharmacy / Erciyes University /

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Lexin Chen

@lexinc_

PhD Candidate @UFChemistry | clustering, comp chem, ML | 🫧 mdancing with the stars ✨| lexinc.bsky.social 🦋

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The Boros Lab

@boroslab

Trainee-run account Medicinal Inorganic Chemistry| We develop metal-based molecular imaging probes and therapeutics for personalized medicine

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Michael Shirts

@michael_shirts

Professor of Chemical & Biological Engineering at @CUBoulder. Molecular modeling methodology and applications with wiggling molecules. Views mine.

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Feng Jiao

@jiao_lab

Electrochemist, Professor at Washington University in St. Louis. Interested in sustainability, technology, and innovation.

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Rebecca Wade

@rebecca_wade_c

Professor, @UniHeidelberg @ZmbhH; Group Leader, Molecular and Cellular Modeling (MCM) @HITStudies | 🇬🇧 🇩🇪 | #MolSim #CompChem #Biophysics #DrugDesign

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Charlotte Crowe

@charlcrowe

Structural biology PDRA @MichaelJFoxOrg / PhD 2024 @AlessioCiulli @UoDCeTPD 🏴󠁧󠁢󠁳󠁣󠁴󠁿🇬🇧/ MChem 2020 @univofstandrews / originally from Strasbourg 🇫🇷

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Joshua Schrier

@joshuaschrier

Bepler Professor of #Chemistry @FordhamNYC / @fordhamchem. Associate Editor @Digital_RSC. Opinions my own. jschrier.github.io/blog/

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Will Glover

@williamjglover

Associate Professor of Chemistry at NYU Shanghai and NYU. Director of NYU-ECNU Center for Comp. Chem. Theoretical chemist interested in excited-state dynamics.

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Chemical Physics Reviews

@chemphysrev

CPR is a new journal featuring reviews and original research covering all areas of chemical physics. Published by @AIP_Publishing.

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Ruiyu Wang (王瑞雨）

@ruiyuwangmd

Postdoc researcher. @tiwarylab University of Maryland, College Park. PhD, Dr. Eric Borguet (@TUChemBot), Dr. Carnevale (@carnevalelab)

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Kritika Kumari

@_kritikakumari_

Biophysics Grad Student @UWM | UG @IISERPune, MS @NCBStheory | Interested in Structural Biology, Bioinformatics, and Algorithms | 🏀

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Rommie Amaro

@rommieamaro

Professor @UCSanDiego. Computational chemist & biophysicist, multiscale modeler. Viruses. Cancer. Unapologetically molecular.

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Wei Wei (魏伟)

@weiwei_stanford

Incoming Assistant Professor in the Biochemistry Department at the University of Wisconsin–Madison‖ Postdoc and PhD @longlabstanford

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Zhongbo Kang

@zhongbok

Theoretical Physicist @UCLA Physics & Astronomy | Bhaumik Institute for Theoretical Physics | CFNS @stonybrooku and @BrookhavenLab

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Eshani Goonetilleke

@goonetillekee

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Leonardo Medrano Sandonas

@lmedranos88

Computational physicist/chemist at TU Dresden 🇩🇪 | Chemical Physics, Machine learning, NanoPhononics, Computational modeling, Materials Science 🇵🇪

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Yifan Li 李一帆

@yifanli35738914

PhD student @ Princeton University

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Gina El Nesr

@ginaelnesr

@stanford phd • @nsf grf • @johnshopkins ‘21 • @workshopmlsb • deep learning for protein design & dynamics • oly weightlifter 🏋🏽‍♀️🇪🇬

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Subhajyoti Chaudhuri

@hartreefocker

Theoretical Chemist • IIN Postdoctoral Fellow @NUChemistry • PhD @YaleChem • Organizer @nutcss

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Harrison E.

@type2enthusiasm

You are not defined by who you are today

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JO JO

@jojo20577340

First year Biophysics Ph.D. student at UW-Madison

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DeepSeek

@deepseek_ai

Unravel the mystery of AGI with curiosity. Answer the essential question with long-termism.

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Yichong Lao

@yichonglao

Biophysics, UW-madison @UWMadBiophysics @TCI_UW_Madison

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Biology+AI Daily

@biologyaidaily

Protein/Antibody Designer, AI for drug design, Deep learning and large language model. Share daily papers on biology + AI

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Kevin K. Yang 楊凱筌

@kevinkaichuang

Principal Researcher in BioML @MSFTResearch (@MSRNE). He/him/他. 🇹🇼

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Paul Robustelli

@paulrobustelli

Assistant Professor at Dartmouth College Computational Biophysics / Disordered Proteins / Molecular Recognition

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Anqi Zhang

@zhanganqi

Assistant Professor @Caltech @CaltechEAS @CaltechMedE. Neuroengineer, materials scientist.

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Ziru Chen

@ronziruchen

Ron | チン シジョ. Ph.D. student @osunlp. Researching #NLProc & #ConvAI. “Cogito, ergo sum.”

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Barak Hirshberg 🎗️

@barak_hirshberg

#MolecularSimulations | Asst. Prof. @TelAvivUni 🇮🇱 | PD: Rothschild Fellow @GroupParrinello @ETH_en 🇨🇭 | PhD: Adams Fellow, w/Benny Gerber @HebrewU | #newPI

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CECAM

@cecamevents

CECAM (Centre Européen de Calcul Atomique et Moléculaire) was founded in Paris in 1969 by Dr Carl Moser. Follow us also on BlueSky: @cecamevents.bsky.social

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Peng Liu Group

@pengliu_group

Computational organic chemistry group at the University of Pittsburgh

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Frank Noe

@franknoeberlin

Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler.

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Jordy Homing Lam

@lamjordy

Bioinformatics PhD. Compute with 📝 ,🗑️and 🦆. Patron 📚. Wanderer of Chemical Space. Croucher Postdoctoral Fellow.

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Michele Ceriotti

@micheleceriotti

Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.

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Bret Freudenthal

@freudlab

Associate Professor studying the interplay between DNA damage and human health. WY➡️CSU➡️UI➡️NIEHS➡️KU. Personal tweets from science to society.

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Etienne Palos

@etiennepalos

PhD candidate @PaesaniLab @UCSanDiego | @NSF GRFP & @SloanFoundation | @ThinkSwiss fellow @unifrChemistry | B.S. @UNAM_MX

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Jingyi Jessica Li (李婧翌)

@jsb_ucla

Professor of Statistics @UCLA. @RadInstitute Fellow 22-23. Research: developing statistical methods motivated by biomedical questions; enhancing analysis rigor

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Duo Xu

@duoxu1989

Assistant Professor of Biochemistry at UW-Madison | Protein engineering at the host-pathogen interface | @ duo-xu.bsky.social

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