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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Joe Mayo

@joemayo

Author/Independent Consultant. Working on next... | prev: @Generellem Recent Books: C# Cookbook/O'Reilly Programming the Microsoft Bot Framework/MSPress

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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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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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Patrick Walters

@wpwalters

cheminformatics, machine learning, drug discovery, opinions

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Ariane Nunes Alves

@anunesalves

Computational Biochemist | Junior Group Leader @UniSysCat @TUBerlin | Associate Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding)

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Julio César

@juliocesar_io

Building amazing tech in molecular biology.

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Nir Dayan

@nir_dayan

Postdoctoral researcher in the field of protein engineering

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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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naray

@naraypv

research| learning| writing

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Syma Khalid

@profsyk

Prof of Computational Microbiology. Oxford Biochemistry & St Anne’s College. Bacterial Cell Envelopes. Chair of @hecbiosim. #computationalmicrobiology #LFC 🌈

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Taras Pogorelov

@taraspogorelov

Cell signaling, protein and membrane dynamics in complex environments @ChemistryUIUC Biophysics & Quantitative Biology @BeckmanInst @NCSAatIllinois @UofIllinois

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Dr.Ibrahi〽️

@ibrahim_maherr

Assistant lecturer ❜ فَيُعْطِيَكَ الرّبُ سُــــــؤْلَ قَلْبِك ❛❛♥️

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©️ Fernando Martel García, PhD

@fmg_twtr

𝙲𝚊𝚞𝚜𝚊𝚕 𝙸𝚗𝚏𝚎𝚛𝚎𝚗𝚌𝚎 | 𝚁𝚎𝚜𝚎𝚊𝚛𝚌𝚑 𝙿𝚛𝚊𝚌𝚝𝚒𝚌𝚎 | 𝙴𝚗𝚝𝚛𝚎𝚙𝚛𝚎𝚗𝚎𝚞𝚛𝚜𝚑𝚒𝚙

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Rıza Özçelik

@rza_ozcelik

Processing language to discover drugs | Ph.D. candidate @molecularML | Prev. Great Minds Research Intern @IBMResearch | BS&MS @Bogazici_CmpE

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Sergey Ovchinnikov

@sokrypton

Scientist, Assistant Professor @MITBiology, #FirstGen, ProteinBERTologist, 🇺🇦 Moving to: bsky.app/profile/sokryp…

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JCIM & JCTC Journals

@jcim_jctc

Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications

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惠成功Chenggong

@4spqutxmsaxspzj

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Theconventionalresearcher

@thermo_ensemble

physicist . #phd. IITian. no DM. I’m new here for different opinions.

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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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Suresh Bishnoi

@bishnoi__suresh

PhD Scholar at IIT Delhi आः नो भद्राः कर्तव्यो यन्तु विश्वतः। - ऋग्वेद 1.89.1 (Let Noble thoughts come to us from every side)

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Wojciech (Wojtek) Kopec

@wojciechkopec3

Lecturer @chemistry_qmul | Guest Scientist @compbiophys | Computational Electrophysiology simulations | Living with insomnia | 🇵🇱🇩🇰🇺🇸🇩🇪🇬🇧

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Yang

@yang21836139

Food Music Gaming News

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Saad Raza

@saadraza128

Graduate in molecular modeling and molecular dynamics simulation

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Machine Learning: Science and Technology

@mlstjournal

A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.

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Rommie Amaro

@rommieamaro

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

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hananab

@hananabsike

P.h.D Physics🇲🇦🚺 Material science & Quantum transport nanodevice Cendensef matter physics 💻🇲🇦😎

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Vikas Tiwari

@tiwarivikas0

Computational chemist | PhD | IIT Delhi

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M. Hamsa Priya

@m_hamsapriya

Faculty @iitmbt computational biophysics, protein aggregation, drug delivery system, nanotechnology

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Hekstra Lab

@hekstralab

Research group of Prof. Doeke Hekstra | Harvard Department of Molecular & Cellular Biology

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niccolò zanichelli

@nc_znc

weaponized confusion

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Mohamed Ali, PhD

@mohamed51050067

Structural Biologist, X ray-Crystallography and Cryo-EM Sharing structural biology hacks & trends Let’s connect science to solutions!

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James Burgess (at ICLR 2025)

@jmhb0

jmhb0.github.io PhD student in ML, computer vision & biology at Stanford 🇦🇺

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Arun Kantholi

@arunkantholi

Results-oriented professional with extensive research experience in theoretical and computational chemistry.

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Research

@research_jrnl

Open Access journal published by @AAAS in association with CAST, publishing innovative and wide-ranging multidisciplinary research.

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Xuebo Wang

@pofftuan

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APARNA INDULEKHA NAIR

@aparnaindulekha

Fell down 7 times...stood up the eighth because of the love for chemistry and life...

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lol* *

@comelightening

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Meruem

@meruem49839142

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Anirban Phukan

@anirban277

PhD student @psu_chemistry. Bridging computational and experimental materials research in The Van Duin and The J.A.Robinson Research Group.

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FABIAN MUÑOZ

@carlosf96491778

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SIRIUS-3

@srgsirius

Space robotic systems. Space architecture.

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Elham

@eli_ghaedsharaf

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Aman Ghosh

@amangho10695181

M.Sc in chemistry IIT Madras| synthetic chemist |

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Amit Tyagi

@amitsha36463911

A highly motivated and results-oriented student with a keen interest in Machine Learning, AI and Blockchain. Looking for similar minded people.

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Kieran Nehil-Puleo

@kieran_neh60175

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Akash Sajeev Sheeja

@sheejaakas15456

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Filippo Stocco

@filippo_stocco_

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Ayush Pal

@ayushpal_3_1415

TIFR (NIUS Physics) 2024 Fellow| Research Intern at IIT Delhi | Research Intern at Fermilab, USA | BS (Physics)

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yuebin zhang

@yuebin_zhang

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Somdatta Paul

@p23cy000788943

Research Scholar IIT JODHPUR

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whoheremains

@whoheremains

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Bioecomatics

@bioecomatic

Applied BiomedicoClinical Informatics BioSystemsInternalMedicine CM2EnvM,OrganSys2Epigenetics PsySEMECEpi/Bioecological LangofOrgeff

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Devid Sahu

@devid2210

PhD Scholar @SNIoE Department of Chemistry MD Simulation, Protein-protein interaction, Autophagy

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Karthikeyan

@fitwitscientist

Microbiome & Metabolome Researcher

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Zhenghao Wu

@zhenghaowu1995

Assistant Professor of Department of Chemistry and Materials Science @XJTLU

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Radwan alnajjar

@radwancadd

Lecturer at Benghazi and Head of the CADD unit at LIMU, Libya 🇱🇾

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Sofía Alvarez

@sofaalvare38831

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lliw

@tomanandmouse

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Ahmed Rozza

@ahmedmrozza

Computational Structural Biologist | Research Fellow

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Saubashya Sur, PhD

@saubashyasur

Assistant Professor@Ramananda College, Bankura University; Expertise in Bioinformatics # Former Postdoc @liu_universitet @FU_Berlin @UmeaUniversity; Shutterbug

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ምስጋና(bluesprit)

@blusprit

We don’t even begin to know what we don’t know…

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Marco De Vivo

@devivo_marco

Lab Head & Associate Director at @IITalk. Exec Editor of JCTC (@ACSPublications). Director cecamsimul.eu. Co-Founder @IAMABiotech. Passionate about science!

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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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David Chalmers

@davidkchalmers

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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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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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Francesca Grisoni

@fra_grisoni

Associate Prof. #AI for drug discovery | Leading @molecularML at @TUeindhoven & @ICMStue | @ELLISforEurope Scholar | Previously @ETH & @unimib | she/her 🏳️‍🌈

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