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Regina Barzilay

Massachusetts Institute of Technology

89H-index
445Paper Count
3.2WCitation Count
Published Papers 52
Publication Date
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Atom-level enzyme active site scaffolding using RFdiffusion2
errNature Methods
IF32.1
err2025-12-03
err0
errOAAI
errWoody Ahern; Jason Yim; Doug Tischer; Saman Salike; Seth M. Woodbury; Donghyo Kim; Indrek Kalvet; Yakov Kipnis; Brian Coventry; Han Raut Altae-Tran; Magnus S. Bauer; Regina Barzilay; Tommi S. Jaakkola; Rohith Krishna; David Baker
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Author Correction: Discovery and artificial intelligence-guided mechanistic elucidation of a narrow-spectrum antibiotic
errNature Microbiology
IF19.4
err2025-10-24
err0
errOAAI
errDenise B. Catacutan; Vian Tran; Autumn Arnold; Jeremie Alexander; Gabriele Corso; Yeganeh Yousefi; Megan M. Tu; Stewart McLellan; Dominique Tertigas; Kimberly Corneil; Jakob Magolan; Michael G. Surette; Eric D. Brown; Brian K. Coombes; Regina Barzilay; Jonathan M. Stokes
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errSave
Redefining druggable targets with artificial intelligence
errNature Biotechnology
IF41.7
err2025-08-19
err0
PREAI
errKaren Akinsanya; Mohammed AlQuraishi; Ann Boija; John Chodera; Anna Cichońska; Marzyeh Ghassemi; Martha Head; Wengong Jin; Warren A. Kibbe; Nevan Krogan; Michael V. LeVine; John Moult; Lynda Stuart; Georgia Tourassi; James Zou; Regina Barzilay; Olivier Elemento
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errSave
AI-driven discovery of synergistic drug combinations against pancreatic cancer
errNATURE COMMUNICATIONS
IF15.7
err2025-04-29
err0
errOAAI
errPourmousa, Mohsen; Jain, Sankalp; Barnaeva, Elena; Jin, Wengong; Hochuli, Joshua; Itkin, Zina; Maxfield, Travis; Melo-Filho, Cleber; Thieme, Andrew; Wilson, Kelli; Klumpp-Thomas, Carleen; Michael, Sam; Southall, Noel; Jaakkola, Tommi; Muratov, Eugene N.; Barzilay, Regina; Tropsha, Alexander; Ferrer, Marc
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errSave
Deep learning enhances the prediction of HLA class I-presented CD8+ T cell epitopes in foreign pathogens
errNATURE MACHINE INTELLIGENCE
IF23.9
err2025-01-28
err1
errOAAI
errWohlwend, Jeremy; Nathan, Anusha; Shalon, Nitan; Crain, Charles R.; Tano-Menka, Rhoda; Goldberg, Benjamin; Richards, Emma; Gaiha, Gaurav D.; Barzilay, Regina
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errSave
OpenChemIE: An Information Extraction Toolkit for Chemistry Literature
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-07-01
err4
errOAAI
errFan, Vincent; Qian, Yujie; Wang, Alex; Wang, Amber; Coley, Connor W.; Barzilay, Regina
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errSave
Diffusion models in protein structure and docking
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2024-04-05
err7
errOAAI
errYim, Jason; Staerk, Hannes; Corso, Gabriele; Jing, Bowen; Barzilay, Regina; Jaakkola, Tommi S.
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errSave
Role of sex in lung cancer risk prediction based on single low-dose chest computed tomography
errSCIENTIFIC REPORTS
IF3.9
err2023-10-30
err2
errOAAI
errSimon, Judit; Mikhael, Peter; Tahir, Ismail; Graur, Alexander; Ringer, Stefan; Fata, Amanda; Jeffrey, Yang Chi-Fu; Shepard, Jo-Anne; Jacobson, Francine; Barzilay, Regina; Sequist, Lecia V.; Pace, Lydia E.; Fintelmann, Florian J.
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errSave
Distinct chemical environments in biomolecular condensates (Sep, 10.1038/s41589-023-01432-0, 2023)
errNATURE CHEMICAL BIOLOGY
IF13.7
err2023-10-25
err0
errOAAI
errKilgore, Henry R.; Mikhael, Peter G.; Overholt, Kalon J.; Boija, Ann; Hannett, Nancy M.; Van Dongen, Catherine; Lee, Tong Ihn; Chang, Young-Tae; Barzilay, Regina; Young, Richard A.
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errSave
Evaluation of a prototype machine learning tool to semi-automate data extraction for systematic literature reviews
errSYSTEMATIC REVIEWS
IF3.9
err2023-10-06
err0
errOAAI
errPanayi, Antonia; Ward, Katherine; Benhadji-Schaff, Amir; Ibanez-Lopez, A. Santiago; Xia, Andrew; Barzilay, Regina
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errSave
Distinct chemical environments in biomolecular condensates
errNATURE CHEMICAL BIOLOGY
IF13.7
err2023-09-28
err20
PREAI
errKilgore, Henry R.; Mikhael, Peter G.; Overholt, Kalon J.; Boija, Ann; Hannett, Nancy M.; Van Dongen, Catherine; Lee, Tong Ihn; Chang, Young-Tae; Barzilay, Regina; Young, Richard A.
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errSave
RxnScribe: A Sequence Generation Model for Reaction Diagram Parsing
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-06-27
err11
errOAAI
errQian, Yujie; Guo, Jiang; Tu, Zhengkai; Coley, Connor W.; Barzilay, Regina
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errSave
Deep learning-guided discovery of an antibiotic targeting Acinetobacter baumannii
errNATURE CHEMICAL BIOLOGY
IF13.7
err2023-05-25
err118
PREAI
errLiu, Gary; Catacutan, Denise B.; Rathod, Khushi; Swanson, Kyle; Jin, Wengong; Mohammed, Jody C.; Chiappino-Pepe, Anush; Syed, Saad A.; Fragis, Meghan; Rachwalski, Kenneth; Magolan, Jakob; Surette, Michael G.; Coombes, Brian K.; Jaakkola, Tommi; Barzilay, Regina; Collins, James J.; Stokes, Jonathan M.
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errSave
MolScribe: Robust Molecular Structure Recognition with Image-to- Graph Generation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-03-27
err30
errOAAI
errQian, Yujie; Guo, Jiang; Tu, Zhengkai; Li, Zhening; Coley, Connor W.; Barzilay, Regina
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errSave
Generative models for molecular discovery: Recent advances and challenges
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2022-03-05
err124
PREAI
errBilodeau, Camille; Jin, Wengong; Jaakkola, Tommi; Barzilay, Regina; Jensen, Klavs F.
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errSave
Optimizing risk-based breast cancer screening policies with reinforcement learning
errNATURE MEDICINE
IF50
err2022-01-13
err44
errOAAI
errYala, Adam; Mikhael, Peter G.; Lehman, Constance; Lin, Gigin G.; Strand, Fredrik; Wan, Yung-Liang; Hughes, Kevin; Satuluru, Siddharth; Kim, Thomas; Banerjee, Imon; Gichoya, Judy; Trivedi, Hari; Barzilay, Regina
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Generating molecules with optimized aqueous solubility using iterative graph translation
errREACTION CHEMISTRY & ENGINEERING
IF3.1
err2022-01-01
err8
errOAAI
errBilodeau, Camille; Jin, Wengong; Xu, Hongyun; Emerson, Jillian A.; Mukhopadhyay, Sukrit; Kalantar, Thomas H.; Jaakkola, Tommi; Barzilay, Regina; Jensen, Klavs F.
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errSave
Deep learning identifies synergistic drug combinations for treating COVID-19
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2021-09-15
err92
errOAAI
errJin, Wengong; Stokes, Jonathan M.; Eastman, Richard T.; Itkin, Zina; Zakharov, Alexey, V; Collins, James J.; Jaakkola, Tommi S.; Barzilay, Regina
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Automated Chemical Reaction Extraction from Scientific Literature (Jun, 10.1021/acs.jcim.1c00284, 2021)
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-07-23
err10
errOAAI
errGuo, Jiang; Ibanez-Lopez, A. Santiago; Gao, Hanyu; Quach, Victor; Coley, Connor W.; Jensen, Klavs F.; Barzilay, Regina
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errSave
LAutomated Chemical Reaction Extraction from Scientific Literature
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-06-11
err57
PREAI
errGuo, Jiang; Ibanez-Lopez, A. Santiago; Gao, Hanyu; Quach, Victor; Coley, Connor W.; Jensen, Klavs F.; Barzilay, Regina
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
J
James J. Collins
H-index: 162 · Papers: 589
R
Richard A. Young
H-index: 158 · Papers: 702
M
Mark G. Kris
H-index: 149 · Papers: 1.4K
J
Judy E. Garber
H-index: 130 · Papers: 972
G
Gregory J. Riely
H-index: 127 · Papers: 1.3K
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