Publications
(Lab Members in Bold; *denotes equal contribution; #denotes corresponding author)
Papadopoulos Lambidis S, Schramm T, Steuer-Lodd K, Farrell S, Stincone P, Schmid R, Koester I, Torres RR, Dittmar T, Aluwihare LI, Simon C, Petras D#
Environmental Science & Technology, 2024
Hoehn F, Bagci C, Chaudhry V, Stincone P, Mahmoudi M, Berg L, Klenk E, Hughes CC, Petras D, Broetz-Oesterhelt H, Kemen E, Ziemert N#
ISME Communications, 2024
Statistical Analysis of Feature-based Molecular Networks from Non-Targeted Metabolomics Data
Pakkir Shah AK, Walter A, Ottosson F, Russo F, Navarro-Díaz M, Boldt J, Kalinski JC, Kontou EE, Elofson J, Polyzois A, González-Marín C, Farrell S, Aggerbeck MR, Pruksatrakul T, Chan N, Wang Y, Pöchhacker M, Brungs C, Cámara B, Caraballo-Rodríguez AM, Cumsille A, de Oliveira F, Dührkop K, El Abiead Y, Geibel C, Graves LG, Hansen M, Heuckeroth S, Knoblauch S, Kostenko A, Kuijpers MCM, Mildau K, Papadopoulos Lambidis S, Portal Gomes P, Schramm T, Steuer-Lodd K, Stincone P, Tayyab S, Vitale GA, Wagner BC, Xing S, Yazzie MT, Zuffa S, de Kruijff M, Beemelmanns C, Link H, Mayer C, van der Hooft J, Damiani T, Pluskal T, Dorrestein P, Stanstrup J, Schmid R, Wang M, Aron A, Ernst M#, Petras D#
Nature Protocols, 2024
Timilsina A, Lokesh S, Shahriar A, Numan T, Schramm T, Stincone P, Nyarko L, Dewey C, Boiteau R, Petras D, Yang Y#
Shahriar A, Lokesh S, Timilsina A, Numan T, Schramm T, Stincone P, Nyarko L, Dewey C, Petras D,
Boiteau R, Yang Y#
Native metabolomics for mass spectrometry-based siderophore discovery
Yazzie MT, Reitz ZL, Schmid R, Petras D, Aron AT#
Methods in Enzymology, 2024
Zytnick AM, Gutenthaler SM, Aron AT, Reitz ZL, Tri Phi M, Good NM, Petras D, Daumann LJ, Martinez-Gomez NC#
Proceedings of the National Academy of Sciences, 2024
Damm M#, Kariş M, Petras D, Nalbantsoy A, Göçmen B, Süssmuth RD#
Journal of Proteome Research, 2024
Reproducible mass spectrometry data processing and compound annotation in MZmine 3
Heuckeroth S*, Damiani T*, Smirnov A, Mokshyna O, Brungs C, Korf A, Smith J, Stincone P, Dreolin N, Nothias LF, Hyötyläinen T, Orešič M, Karst U, Dorrestein P, Petras D, Du X, Van der Hooft J, Schmid R#, Pluskal T#
Nature Protocols, 2024
Avalon NE*, Reis MA*, Thornburg CC*, Williamson RT, Petras D, Aron AT, Neuhaus GF, Al-Hindy M, Mitrevska J, Ferreira L, Morais J, El Abiead Y, Glukhov E, Alexander KL, Vulpanovici FA, Bertin MJ, Whitner S, Choi H, Spengler G, Blinov K, Almohammadi AM, Shaala LA, Kew WR, Paša-Tolić L, Diaa TAY, Dorrestein PC, Vasconcelos V, Gerwick L, McPhail KL#, Gerwick WH#
Journal of the American Chemical Society, 2024
ModiFinder: Tandem Mass Spectral Alignment Enables Structural Modification Site Localization
Zare Shahneh MR, Strobel M, Vitale GA, Geibel C, Abiead YE, Garg N, Wagner B, Forchhammer K, Aron AT, Phelan VV, Petras D, Wang M#
Journal of the American Society for Mass Spectrometry, 2024
Neuhaus GF*, Aron AT*, Isemonger EW, Petras D, Waterworth SC, Gentry EC, Siwe Noundou X, Kalinski JC, Polyzois A, Habiyaremye JC, Kwan JC, Dorrington RA, Dorrestein PC, McPhail KL#
PLOS One, 2024
Assessing Target Specificity of the Small Molecule Inhibitor Marimastat to Snake Venom Toxins: A Novel Application of Thermal Proteome Profiling
Smith CF, Modahl CM, Ceja-Galindo D, Larson KY, Maroney SP, Bahrabadi L, Brandehoff NP, Perry BW, McCabe MC, Petras D, Lomonte B, Calvete JJ, Castoe TA, Mackessy SP, Hansen KC, Saviola AJ#
Molecular and Cellular Proteomics, 2024
The redox-sensitive R-loop of the carbon control protein SbtB contributes to the regulation of the cyanobacterial CCM
Mantovani O, Haffner M, Walke P, Elshereef AA, Wagner B, Petras D, Forchhammer K, Selim KA, Hagemann M#
Scientific Reports, 2024
Urban and Agricultural Influences on the Coastal Dissolved Organic Matter Pool in the Algoa Bay Estuaries
Kalinski JCJ, Noundou XS, Petras D, Matcher GF, Polyzois A, Aron A, Gentry E, Bornman TG, Adams JB, Dorrington RA#
Chemosphere, 2024
Connecting Metabolome and Phenotype: Recent Advances in Functional Metabolomics Tools for the Identification of Bioactive Natural Products
Vitale GA*, Geibel C*, Minda V, Wang M#, Aron AT#, Petras D#
Natural Products Reports, 2024
Berger T, Alenfelder J, Steinmueller S, Heimann D, Gohain N, Petras D, Wang M, Berger R, Kostenis E, Reher R#
Journal of Natural Products, 2024
A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data
Zuffa S, Schmid R, Bauermeister A, Gomes PWP, Caraballo-Rodriguez AM, Abiead YE, Aron AT, Gentry EC, Zemlin J, Meehan MJ, Avalon NE, Cichewicz RH, Buzun E, Terrazas MC, Hsu C, Oles R, Ayala AV, Zhao J, Chu H, Kuijpers MCM, Jackrel SL, Tugizimana F, Nephali LP, Dubery IA, Madala NE, Moreira EA, Costa-Lotufo LV, Lopes NP, Rezende-Teixeira P, Jimenez PC, Rimal B, Patterson AD, Traxler MF, Pessotti RdC, Alvarado-Villalobos D, Tamayo-Castillo G, Chaverri P, Escudero-Leyva E, Quiros-Guerrero L, Bory AJ, Joubert J, Rutz A, Wolfender J, llard P, Sichert A, Pontrelli S, Pullman BS, Bandeira N, Gerwick WH, Gindro K, Massana-Codina J, Wagner BC, Forchhammer K, Petras D, Aiosa N, Garg N, Liebeke M, Bourceau P, Kang KB, Gadhavi H, de Carvalho LPS, Santos MSd, Pérez-Lorente AI, Molina-Santiago C, Romero D, Franke R, Brönstrup M, Ponce de Leon AV, Pope PB, La Rosa SLL, Barbera GL, Roager HM, Laursen MF, Hammerle F, Siewert B, Peintner U, Licona-Cassani C, Rodriguez-Orduña L, Rampler E, Hildebrand F, Koellensperger G, Schoeny H, Hohenwallner K, Panzenboeck L, Gregor R, O'Neill EC, Roxborough ET, Odoi J, Bale NJ, Ding S, Damsté JSS, Guan XL, Cui JJ, Ju K, Silva DB, Silva FMR, Silva GFd, Koolen HHF, Grundmann C, Clement JA, Mohimani H, Broders K, McPhail KL, Ober-Singleton SE, Rath CM, McDonald D, Knight R, Wang M, Dorrestein PC#
Nature Microbiology, 2024
Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics
Bittremieux W#, Avalon NE, Thomas SP, Kakhkhorov SA, Aksenov AA, Portal Gomes PW, Aceves CM, Caraballo Rodríguez AM, Gauglitz JM, Gerwick WH, Jarmusch AK, Kaddurah-Daouk RF, Kang KB, Kim HW, Kondić T, Mannochio-Russo H, Meehan MJ, Melnik A, Nothias LF, O'Donovan C, Panitchpakdi M, Petras D, Schmid R, Schymanski EL, van der Hooft JJJ, Weldon KC, Yang H, Zemlin J, Wang M, Dorrestein PC#
Nature Communications, 2023
Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides
Hansen M*, Adamek M*, Iftime D, Petras D, Schuseil F, Grond S, Stegmann E#, Cryl M#, Ziemert N#
Nature Communications, 2023
Decoding the Molecular Interplay in the Central Dogma: An Overview of Mass Spectrometry-based Methods to Investigate Protein-Metabolite Interactions
Stincone P*, Naimi A*, Saviola A, Reher R#, Petras D#
Proteomics, 2023
Progress and challenges in exploring aquatic microbial communities using non-targeted metabolomics
Thukral M, Allen EA, Petras D#
The ISME Journal, 2023
Evaluation of Data Dependent MS/MS Acquisition Parameters for Non-Targeted Metabolomics and Molecular Networking of Environmental Samples - Focus on the Q Exactive Platform
Stincone P, Pakkir Shah AK, Schmid R, Graves L, Lambidis SP, Torres R, Xia SN, Minda V, Aron A, Wang M, Hughes C, Petras D#
Analytical Chemistry, 2023
Dantas Machado AC, Flores Ramos S, Gauglitz JM, Fassler AM, Petras D, Aksenov A, Kim UB, Lazarowicz M, Giustini AB, Aryafar H, Vodkin I, Warren C, Dorrestein PC, Zarrinpar A, Zarrinpar A#
Nature Communications, 2023
Microbiomes and metabolomes of dominant coral reef primary producers illustrate a potential role for immunolipids in marine symbioses
Mannochio-Russo H#,*, Swift SOI#,*, Nakayama KK, Wall CB, Gentry EC, Panitchpakdi M, Caraballo-Rodriguez AM, Aron AT, Petras D, Dorrestein K, Dorrestein TK ,Williams TM , Nalley EM, NAltman-Kurosaki NT, Martinelli M, Kuwabara JY, Darcy JL, Bolzani VS, Wegley Kelly L , Mora C, Yew JY, Amend AS, McFall-Ngai M, Hynson NA , Dorrestein PC , Nelson CE
Communications Biology, 2023
Integrative analysis of multimodal mass spectrometry data in MZmine 3
Schmid R*, Heuckeroth S*, Korf A*, Smirnov A, Myers O, Dyrlund TS, Bushuiev R, Murray KJ, Hoffmann N, Lu M, Sarvepalli A, Zhang Z, Fleischauer M, Dührkop K, Wesner M, Hoogstra SJ, Rudt E, Mokshyna O, Brungs C, Ponomarov K, Mutabdžija L, Damiani T, Pudney CJ, Earll M, Helmer PO, Fallon TR, Schulze T, Rivas-Ubach A, Bilbao A, Richter H, Nothias LF, Wang M, Orešič M, Weng JK, Böcker S, Jeibmann A, Hayen H, Karst U, Dorrestein PC, Petras D, Du X, Pluskal T#
Nature Biotechnology, 2023
Ramabulana AT, Petras D, Madala NE, Tugizimana F#
Metabolomics, 2023
Pendergraft MA#, Beldá-Ferre P, Petras D, Morris CK, Mitts BA, Aron AT, Bryant M, Schwartz T, Ackerman G, Humphrey G, Kaandorp E, Dorrestein PC, Knight R, Prather KA#
Environmental Science and Technology, 2023
Hemple BF*,#, Damm M*, Petras D, Kazandjian TD, Szentiks CA, Fritsch G, Nebrich G, Casewell NR, Klein O, Süssmuth RD#
Journal of Proteome Research, 2022
ConCISE: Consensus annotation propagation of ion features in untargeted tandem mass spectrometry combining molecular networking and CANOPUS
Quinlan Z, Koester I, Aron A, Petras D, Aluwihare LI, Dorrestein PC, Nelson CE, Wegley Kelly L#
Metabolites, 2022
Standardized multi-omics of Earth’s microbiomes reveals microbial and metabolite diversity
Shaffer JP*, Nothias LF*, Thompson LR*, Sanders JG, Salido RA, Couvillion SP, Brejnrod AD, Huang S, Franck Lejzerowicz F, Lutz HL, Zhu Q, Martino C, Morton JT, Karthikeyan S, Nothias-Esposito M, Dührkop K, Böcker S, Kim H, Aksenov AA, Bittremieux W, Minich JJ, Marotz C, Bryant MM, Sanders K, Schwartz T, Humphrey G, Vásquez-Baeza Y, Tripathi A, Parida L, Paola Carrieri A, Haiminen N, Beck KL, Das P, González A, McDonald D, Karst SM, Albertsen M, Ackermann G, DeReus J, Thomas T, Petras D, Shade A, Stegen J, Song SJ, Metz TO, Swafford AD, Dorrestein PC, Jansson JK, Gilbert JA, Knight R#
Nature Microbiology, 2022
Illuminating the dark metabolome of Pseudo-nitzschia-microbiome associations
Koester I, Quinlan Z, Nothias LF, White ME, Rabines A, Petras D, Brunson JK, Dührkop K, Ludwig M, Böcker S, Azam F, Allen AE, Dorrestein PC and Aluwihare LI#
Environmental Microbiology, 2022
Native Metabolomics Identifies the Rivulariapeptolide Family of Protease Inhibitors
Reher R, T Aron AT, Fajtová P, Stincone P, Wagner B, Perez-Lorente A, Liu C, Ben Shalom IY, Bittremieux W, Wang M, Matos-Hernandez ML, Alexander KL, Caro-Diaz EJ, Naman CB, William Scanlan JH, Hochban PMM, Diederich WE, Molina-Santiago C, Romero D, Selim K, Sass P, Brötz-Oesterhelt H, Hughes CC, Dorrestein PC, O'Donoghue AJ, Gerwick WH#, Petras D#
Nature Communications, 2022
Mass Difference Matching Unfolds Hidden Molecular Structures of Dissolved Organic Matter
Simon C#, Dührkop K, Petras D, Roth VN, Böcker S, Dorrestein PC, Gleixner G#
Environmental Science and Technology, 2022
Crocker D, Kaluarachchi C, Cao R, Dinasquet J, Franklin E, Morris C, Amiri S, Petras D, Nguyen T; Torres R, Martz T, Malfatti F, Goldstein A, Tivanski Al, Prather K, Thiemens M#
Environmental Science and Technology, 2022
Berlanga-Clavero MV, Molina-Santiago C, Caraballo-Rodríguez AM, Petras D, Díaz-Martínez L, Pérez-García A, De Vicente A, Dorrestein PC, Romero D#
Nature Microbiology, 2022
Distinguishing the molecular diversity and energetic potential of exometabolomes produced by macroalgae and reef building corals
Wegley Kelly L*, Nelson CE*, Petras D, Koester I, Quinlan ZA, Arts MGI, Nothias LF, Comstock J, White BM, Hopmans EC, Van Duyl FV, Carlson CA, Aluwihare LI, Dorrestein PC and Haas AF#
Proceedings of the National Academy of Sciences, 2022
Gamba A, Petras D, Little MJ, White B, Dorrestein PC, Rohwer F, Foster RA, Hartmann AC#
Frontiers in Marine Science, 2022
Listeria monocytogenes exposed to antimicrobial peptides displays differential regulation of lipids and proteins associated to stress response
Stincone P, Fonseca Veras F, Micalizzi G, Donnarumma D, Vitale Celano G, Petras D, De Angelis M, Mondello L, Brandelli A#
Cellular and Molecular Life Sciences, 2022
The Sea Spray Chemistry and Particle Evolution Study (SeaSCAPE): Overview and Experimental Methods
Sauer J*, Mayer K*, Lee C, M Alves M, Amiri S, Bahaveolos C, Barnes E, Crocker D, Dinasqauet J, Garofalo L, Kaluarachchi C, Dang D, Kilgour D, Mael L, Mitts B, Moon D, Morris C, Moore A, Ni CM, Pendergraft M, Petras D, Simpson R, Smith S, Tumminello P, Walker J, Demott P, Farmer D, Goldstein A, Grassian V, Jaffe J, Malfatti F, Martz T, Slade J, Tivanski A, Bertram T, Cappa C, Prather K#
Environmental Science: Processes & Impacts, 2022
Pinto-Almeida A, Bauermeister A, Luppino L, Grilo IR, Oliveira J, Sousa JR, Petras D, Rodrigues CF, Prieto-Davó A, Tasdemir D, Sobral RG, Gaudêncio SP#
Marine Drugs, 2022
Cancelada L*, Torres RR*, Garrafa Luna J, Dorrestein PC, Aluwihare L, Prather K, Petras D#
Limnology and Oceanography: Methods, 2021
GNPS Dashboard: collaborative exploration of mass spectrometry data in the web browser
Petras D, Phelan VV, Acharya DD, Allen AE, Aron AT, Bandeira N, Belle-Oudry D, Boecker S, Bowen BP, Cummings DA, Deutsch JM, Fahy E, Garg N, Gregor R, Handelsman J, Navarro-Hoyos M, Jarmusch AK, Jarmusch SA, Louie KB, Maloney KN, Marty MT, Meijler MM, Mizrahi I, Molina-Santiago C, Neve RL, Northen TR, Panitchpakdi M, Pullman B, Puri AW, Schmid R, Subramaniam S, Thukral M, Vasquez-Castro F, Dorrestein PC, Wang M#
Nature Methods, 2021
Siderophore-mediated zinc acquisition enhances enterobacterial colonization of the inflamed gut
Zhi H, Behnsen J, Aron A, Subramanian V, Liu J, Gerner R, Petras D, Green K, Price S, Camacho J, Hillman H, Tjokrosurjo J, Montaldo N, Hoover E, Treacy-Abarca S, Gilston B, Skaar E, Chazin W, Garneau-Tsodikova S, Lawrenz M, Perry R, Nuccio S, Dorrestein P, Raffatellu M#
Nature Communications, 2021
Ramabulana AT, Petras D, Madala NE, Tugizimana F#
Metabolites, 2021
Calvete JJ#, Pla D, Els J, Carranza S, Damm M, Hempel DF, John EBO, Petras D, Heiss P, Nalbantsoy A, Göçmen G, Süssmuth RD, Calderón-Celis F, Jiménez Nosti A, Ruiz Encinar J
Journal of Proteome Research, 2021
Chemical Proportionality within Molecular Networks
Petras D#,*, Caraballo-Rodríguez AM*, Jarmusch AK, Molina-Santiago C, Gauglitz GM, Gentry EC, Belda-Ferre P, Romero D, Tsunoda SM, Dorrestein PC, Wang M#
Analytical Chemistry, 2021
Molina-Santiago C, Vela-Corcia D, Petras D, Diaz-Martinez L, Perez-Lorente A, Sopena-Torres S Pearson JR, Caraballo-Rodriguez AM, Dorrestein PC, De Vicente A, Romero D#
Cell Reports, 2021
Molecular commerce on coral reefs: Using metabolomics to reveal biochemical exchanges underlying holobiont biology and the ecology of coastal ecosystems
Wegley Kelly L*, Nelson CE*, Aluwihare LI, Arts M, Dorrestein PC, Koester I, Marhaver K, Petras D, Quinlan ZAD, Haas AF#
Frontiers in Marine Science, 2021
Chemical Gradients of Plant Substrates in an Atta texana Fungus Garden
Caraballo-Rodríguez AM, Puckett SP, Kyle KE, Petras D, Da Silva R, Nothias LF, Ernst M, Van der Hooft JJJ, Tripathi A, Wang M, Balunas MJ, Klassen JL#, Dorrestein PC#
mSystems, 2021
Ion Identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment
Schmid R*, Petras D*, Nothias L*, Wang M, Aron AT, Jagels A, Tsugawa H, Rainer J, Garcia-Aloy M, Dührkop K, Korf A, Pluskal T, Kameník Z, Jarmusch AK, Caraballo-Rodríguez AM, Weldon K, Nothias-Esposito M, Aksenov AA, Bauermeister A, Albarracin Orio A, Grundmann CO, Vargas F, Koester I, Gauglitz JM, Gentry EC, Kalinina SA, Pendergraft MA, Panitchpakdi MW, Tehan R, Le Gouellec A, Aleti G, Mannochio Russo H, Arndt B, Hübner F, Hayen H, Zhi H, Raffatellu M, Prather KA, Aluwihare LI, Böcker S, McPhail KL, Humpf H, Karst U, Dorrestein PC#
Nature Communications, 2021
Othibeng K, Nephali L, Ramabulana AT, Steenkamp P, Petras D, Kang KB, Opperman H, Huyser J, Tugizimana F#
Metabolites, 2021
Three-dimensional molecular cartography of the Caribbean reef-building coral Orbicella faveolata
Little M#, George EE, Arts MGI, Shivak J, Huckeba J, Benler S, Quinlan ZA, Boscaro V, Mueller B, Cobián Güemes AGI, Rojas MI, White B, Petras D, Silveira CB, Haas AF, Wegley Kelly L, Vermeij M, Quinn RA, Keeling PJ, Dorrestein PC, Rohwer F, Roach TNF
Frontiers in Marine Science, 2021
A community resource for paired genomic and metabolomic data mining
Schorn MA, Verhoeven S, Ridder L, Huber F, Acharya DD, Aksenov A, Aleti G, Amiri Moghaddam J, Aron A, Aziz S, Bauermeister A, Bauman K, Baunach M, Beemelmanns C, Beman M, Berlanga-Clavero MV, Blacutt A, Bode H, Boullie A, Brejnrod A, Bugni TS, Calteau A, Cao L, Carrion VJ, Castelo-Branco R, Chanana S, Chase AB, Chevrette MG, Costa-Lotufo L, Crawford JM, Crüsemann M, Currie C, Cuypers B, Dang T, de Rond T, Demko AM, Dittmann E, Dorrestein PC, Du C, Drozd C, Dujardin J, Duncan KR, Dutton RJ, Edlund A, Fewer DP, Garg N, Gauglitz JM, Gentry E, Gerwick L, Glukhov E, Gross H, Gugger M, Guillén Matus DG, Helfrich EJN, Hempel B, Huber F, Hur J, Iorio M, Jensen PR, Kang KB, Kaysser L, Kelleher N, Kim CS, Koester I, König GM, Leao T, Lee SR, Lee Y, Li X, Little J, Metcalf WW, Maloney KN, Männle D, Martin H. C, McAvoy AC, Medema MH, Mohimani H, Molina-Santiago C, Moore BS, Mullowney MW, Muskat M, Nothias LF, O'Neill E, Parkinson EI, Petras D, Piel J, Pierce EC, Pires K, Reher R, Ridder L, Rogers S, Romero D, Roper MC, Rust M, Saad H, Saenz C, Sanchez LM, Schorn MA, Sørensen SJ, Sosio M, uessmuth R, Sweeney D, Tahlan K, Tobias N, Trindade-Silva AE, van der Hooft JJJ, van Wezel GP, Verhoeven S, Wang M, Weldon K, Zhang F, Ziemert N, Duncan K, Crüsemann M, Rogers S, Dorrestein PC#, Medema MH#, van der Hooft JJJ#
Nature Chemical Biology, 2021
Convergent Evolution of Pain-Inducing Defensive Venom Components in Spitting Cobras
Kazandjian TD*, Petras D*, Robinson SD*, van Thiel J, Greene HW, Arbuckle K, Barlow A, Carter DA, Wouters RM, Whiteley G, Wagstaff SC, Arias AS, Albulescu L-O, von Plettenberg Laing A, Hall C, Heap A, Penrhyn-Lowe S, McCabe CV, Ainsworth S, da Silva RR, Dorrestein PC, Richardson MK, Gutiérrez JM, Calvete JJ, Harrison RA, Vetter I, Undheim EAB, Wüster W, Casewell NR#
Science, 2021
Petras D#, Minich JJ, Cancelada L, Torres R, Kunselman E, Wang M, White ME, Allen EE, Prather K, Aluwihare LI, Dorrestein PC
Chemosphere, 2021
Stephens BM, Opalk K, Petras D, Liu S, Comstock J, Aluwihare LI, Hansell DA, Carlson CA#
Frontiers in Marine Science, 2020
Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra
Dührkop K, Nothias LF, Fleischauer M, Reher R, Ludwig M, Hoffmann MA, Petras D, Gerwick WH, Rousu J, Dorrestein PC, Böcker S#
Nature Biotechnology, 2020
Agostini F, Sinn L, Petras D, Schipp CJ, Kubyshkin V, Berger AA, Dorrestein PC, Rappsilber J, Budisa N#, Koksch B#
ACS Central Science, 2020
Albarracín Orio AG, Petras D, Tobares RA, Aksenov AA, Wang M, Juncosa F, Sayago P, Moyano AJ, Dorrestein PC#, Smania AM#
Communications Biology, 2020
Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data
Aksenov A, Laponogov I, Zhang Z, Doran S, Belluomo I, Veselkov D, Bittremieux W, Nothias-Esposito LF, Nothias M, Dorrestein KN, Maloney BB, Misra AV, Melnik KL, Jones K, Panitchpakdi M, Ernst M, Gonzalez JJ, Van der Hooft M, Carazzone C, Amézquita A, Callewaert C, Morton J, Quinn RA, Bouslimani A, Albarracin-Orio A, Petras D, Smania AM, Zink SP, Couvillion MC, Burnet CD, Nicora E, Artaev TO, Metz V, Humston-Fulmer E, Gregor R, Mizrahi MM, Meijler I, Eyal S, Anderson B, Lugan RJ, Dutton R, Guitton PL, Boulch Y, Prevost S, Poirier A, Dervilly G, Fait BL, Bizec A, Sikron N, Song C, Gashu K, Coras R, Guma M, Manasson J, Alseekh JU, Scher DK, Barupal S, Fernie A, Mirnezami AR, Fernie R, Vasiliou V, Schmid R, Knight R, Borisov LN, Kulikova R, Wang M, Hanna G, Dorrestein PC#, Veselkov K#
Nature Biotechnology, 2020
Feature-Based Molecular Networking in the GNPS Analysis Environment
Nothias LF*, Petras D*, Schmid R*, Dührkop K, Rainer J, Sarvepalli A, Protsyuk I, Ernst M, Tsugawa H, Aicheler F, Aksenov A, Alka O, Allard P, Cachet X, Barsch A, Caraballo-Rodriguez AM, Da Silva RR, Dang T, Nothias-Esposito M, Garg N, Gauglitz JM, Isaac G, Jarmusch AK, Kameník Z, Kang KB, Kessler N, Koester I, Le Gouellec A, Ludwig M, Martin C, McCall L, McSayles J, Meyer SW, Mohimani H, Morsy M, Moyne O, Neumann S, Neuweger H, Paolini J, Phelan VV, Pluskal T, Rogers S, Shrestha B, van der Hoft JJ, Vargas F, Weldon KC, Witting M, Yang H, Zhang Z, Zubeil F, Kohlbacher O, Böcker S, Alexandrov T, Bandeira N, Wang M#, Dorrestein PC#
Nature Methods, 2020
Database-independent molecular formula annotation using Gibbs sampling through ZODIAC
Ludwig M, Nothias LF, Dührkop K, Koester I, Fleischauer M, Hoffmann MA, Petras D, Vargas F, Morsy M, Aluwihare L, Dorrestein P, Böcker S#
Nature Machine Intelligence, 2020
ReDU: a framework to find and reanalyze public mass spectrometry data
Jarmusch AK, Wang M, Aceves CM, Advani RS, Aguire S, Aksenov AA, Aleti G, Aron AT, Bauermeister A, Bolleddu S, Bouslimani A, Caraballo-Rodriguez AM, Chaar R, Coras R, Elijah EO, Ernst M, Gauglitz JM, Gentry EC, Husband M, Jarmusch SA, Jones II KL, Kamenik Z, Gouellec AL, McCall L, McPhail KL, Meehan MJ, Melnik AV, Menezes RC, Montoya-Giraldo YA, Nguyen NH, Nothias LF, Nothias-Esposito M, Panitchpakdi M, Petras D, Quinn R, Sikora N, van der Hooft JJJ, Vargas F, Vrbanac A, Weldon K, Knight R, Bandeira N, Dorrestein PC#
Nature Methods, 2020
Reproducible Molecular Networking of Untargeted Mass Spectrometry Data Using GNPS
Aron AT, Gentry EC, McPhail KL, Nothias LF, Nothias-Esposito M, Bouslimani A, Petras D, Sikora N, Vargas F, van der Hooft JJJ, Ernst M, Kang KB, Aceves CM, Caraballo-Rodríguez AM, Koester I, Weldon KC, Bertrand S, Roullier C, Sun K, Tehan RM, Boya CA, Martin C, Gutiérrez M, Moreno Ulloa A, Tejeda Mora JA, Mojica-Flores R, Lakey-Beitia J, Vásquez-Chaves V, Zhang Y, Calderon AI, Tayler N, Keyzers RA, Tugizimana F, Ndlovu N, Aksenov AA, Jarmusch A, Schmid R, Truman AW, Bandeira N, Wang M, Dorrestein PC#
Nature Protocols, 2020
Mass spectrometry searches using MASST
Wang M, Jarmusch AK, Vargas F, Aksenov AA, Gauglitz JM, Weldon K, Petras D, Da Silva R, Quinn R, Melnik AV, Van der Hooft JJ, Caraballo-Rodríguez AM, Nothias LF, Aceves CM, Panitchpakdi M, Brown E, Di Ottavio F, Sikora N, Elijah EO, Labarta-Bajo L, Gentry EC, Shalapour S, Kyle KE, Puckett SP, Watrous JD, Carpenter CS, Bouslimani A, Ernst M, Swafford AD, Zúñiga EI, Balunas MJ, Klassen JL, Loomba R, Knight R, Bandeira N, Dorrestein PC#
Nature Biotechnology, 2020
Solenodon genome reveals convergent evolution of venom in eulipotyphlan mammals
Casewell NR#, Petras D, Card DC, Suranse V, Mychajliw AM, Richards D, Koludarov I, Albulescu L-O, Slagboom J, Hempel B-F, Ngum NM, Kennerley RJ, Brocca JL, Whiteley G, Harrison RA, Bolton FMS, Debono J, Vonk FJ, Alföldi J, Johnson J, Karlsson EK, Lindblad-Toh K, Mellor IR, Süssmuth RD, Fry BG, Kuruppu S, Hodgson WC, Kool J, Castoe TA, Barnes I, Sunagar K, Undheim EA, Turvey ST
Proceedings of the National Academy of Sciences, 2019
Ul-Hasan S, Rodríguez-Román E, Reitzel AM, Adams RMM, Herzig V, Trim SA, Saviola AJ, Nobile CJ, Stiers EE, Moschos SA, Keiser CN, Petras D, Moran Y, Colston TJ#
Toxicon: X, 2019
Petras D*,#, Hempel BF*, Göçmen B, Karis M, Whiteley G, Wagstaff S, Heiss P, Casewell N, Nalbantsoy A#, Süssmuth RD#
Journal of Proteomics, 2019
Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2
Bolyen E, Rideout JR, Dillon MR, Bokulich NA, Abnet C, Al-Ghalith GA, Alexander H, Alm EJ, Arumugam M, Asnicar F, Bai Y, Bisanz JE, Bittinger K, Brejnrod A, Brislawn CJ, Brown CT, Callahan BJ, Caraballo-Rodríguez AM, Chase J, Cope E, Da Silva R, Dorrestein PC, Douglas GM, Durall DM, Duvallet C, Edwardson CF, Ernst M, Estaki M, Fouquier J, Gauglitz JM, Gibson DL, Gonzalez A, Gorlick K, Guo J, Hillmann B, Holmes S, Holste H, Huttenhower C, Huttley G, Janssen S, Jarmusch AK, Jiang L, Kaehler B, Kang KB, Keefe CR, Keim P, Kelley ST, Knights D, Koester I, Kosciolek T, Kreps J, Langille MG, Lee J, Ley R, Liu Y, Loftfield E, Lozupone C, Maher M, Marotz C, Martin B, McDonald D, McIver LJ, Melnik AV, Metcalf JL, Morgan SC, Morton J, Naimey AT, Navas-Molina JA, Nothias LF, Orchanian SB, Pearson T, Peoples SL, Petras D, Preuss ML, Pruesse E, Rasmussen LB, Rivers A, Robeson, II MS, Rosenthal P, Segata N, Shaffer M, Shiffer A, Sinha R, Song SJ, Spear JR, Swafford AD, Thompson LR, Torres PJ, Trinh P, Tripathi A, Turnbaugh PJ, Ul-Hasan S, van der Hooft JJ, Vargas F, Vázquez-Baeza Y, Vogtmann E, von Hippel M, Walters W, Wan Y, Wang M, Warren J, Weber KC, Williamson CH, Willis AD, Xu ZZ, Zaneveld JR, Zhang Y, Knight R, Caporaso JG#
Nature Biotechnology, 2019
Molina-Santiago C, Pearson J, Navarro-García Y, Berlanga-Clavero MV, Caraballo-Rodriguez AM, Petras D, García-Martín LM, Lamon G, Haberstein B, Cazorla FM, De Vicente A, Loquet A, Dorrestein PC, Romero D#
Nature Communications, 2019
Gauglitz JM, Aceves CM, Aksenov AA, Aleti G, Almaliti J, Bouslimani A, Brown EA, Campeau A, Caraballo-Rodríguez AM, Chaar R, da Silva RR, Demko AM, Di Ottavio F, Elijah E, Ernst M, Ferguson LP, Holmes X, van der Hooft JJ, Jarmusch AK, Jiang L,Kang KB, Koester I, Kwan B, Ni B, Li J, Li Y, Melnik AV, Molina-Santiago C, Oom AL, Panitchpakdi MW, Petras D, Quinn R, Sikora N, Spengler K, Teke B, Tripathi A, Ul-Hasan S, Vargas F, Vrbanac A, Vu AQ, Wang SC, Weldon K, Wilson K, Wozniak JM, Yoon M, Bandeira N, Dorrestein PC#
Food Chemistry, 2019
Ainsworth S*, Petras D*, Engmark M, Süssmuth RD, Whiteley G, Albulescu LO, Kazandjian TD, Wagstaff SC, Rowley P, Wüster W, Dorrestein PC, Arias AS, Gutiérrez JM, Harrison RA, Casewell NR, Calvete JJ#
Journal of Proteomics, 2018
Pla D*, Petras D*, Saviola AJ*, Modahl CM*, Sanz L, Perez A, Juarez E, Frietze S, Dorrestein PC, Mackessy SP, Calvete JJ#
Journal of Proteomics, 2018
Tundrenone: An Atypical Secondary Metabolite from Bacteria with Highly Restricted Primary Metabolism
Puri AW*, Mevers E*, Ramadhar TR*, Petras D, Liu D, Piel J, Dorrestein PC, Greenberg P, Lidstrom ME, Clardy J#
Journal of the American Chemical Society, 2018
Boecker S, Grätz S, Kerwat D, Adam L, Schirmer D, Richter L, Schütze T, Petras D, Süssmuth RD# and Meyer V#
Fungal Biology and Biotechnology, 2018
Molecular insights into antibiotic resistance: how a binding protein traps albicidin
Rostock L, Janke R, Grätz S, Kerwart D, Von Eckardstein L, Petras D, Kunert M, Alingns C, Schmitt FJ, Friedrich T, Wahl M, Loll B, Mainz A, Süssmuth RD#
Nature Communications, 2018
Petras D#, Koester I, Da Silva RR, Stephens B, Haas AF, Nelson CE, Kelly LW, Aluwihare LI, Dorrestein PC
Frontiers in Marine Science, 2017
Meta-mass shift chemical profiling of metabolomes from coral reefs
Hartmann AC, Petras D, Quinn RA, Protsyuk I, Archer FI, Ransome EJ, Williams GJ, Bailey B, Vermeij MJA, Alexandrov TA, Dorrestein PC, Rohwer FL#
Proceedings of the National Academy of Sciences, 2017
Von Eckardstein L*, Petras D*, Dang T, Cociancich S, Sabri S, Grätz S, Kerwat D, Seidel M, Pesic A, Dorrestein PC, Royer M, Weston JB, Süssmuth RD#
Chemistry – A European Journal, 2017
Petras D*, Jarmusch A*, Dorrestein PC#
Current Opinion in Chemical Biology, 2017
Nalbantsoy A*, Hempel BF*, Petras D, Heiss P, Gocmen B, Igcie N, Yildiz MZ, Süssmuth RD#
Toxicon, 2017
Protein-species quantitative venomics: looking through a crystal ball
Calvete J#, Petras D, Calderón-Celis F, Lomonte B, Ruiz Encinar J, Sanz-Medel A
Journal of Venomous Animals and Toxins including Tropical Diseases, 2017
Natural Products as Mediators of Disease
Garg N*, Luzzatto-Knaan T, Melnik AV, Caraballo-Rodríguez AM, Floros DJ, Petras D, Gregor G, Dorrestein PC, Phelan VV*#
Natural Products Reports, 2017
Significance estimation for large scale metabolomics annotations by spectral matching
Scheubert K*, Hufsky F*, Petras D, Wang M, Nothias LF, Duehrkop K, Bandeira N, Dorrestein PC, Böcker S#
Nature Communications, 2017
Mass spectrometry based molecular 3D-cartography of plant metabolites
Floros DJ, Petras D, Kapono CA, Melnik AV, Ling TJ, Knight R, Dorrestein PC#
Frontiers in Plant Science, 2017
Mass Spectrometry-Based Visualization of Molecules Associated with Human Habitats
Petras D*, Nothias L-F*, Quinn RA*, Alexandrov T, Bandeira N, Bouslimani A, Castro-Falcón G, Chen L, Dang T, Floros DJ, Hook V, Garg, N, Hoffner N, Jiang Y, Kapomo CA, Koester I, Knight R, Leber CA, Ling TJ, Luzzatto-Knaan T, McCall LI, McGrath AP, Meehan MJ, Merritt JK, Mills RH, Morton J, Podvin S, Protsyuk I, Purdy T, Satterfield K, Searles S, Shah S, Shires S, Steffen D, White M, Todoric J, Tuttle R, Wojnicz A, Sapp V, Vargas F, Yang J, Zhang C, Dorrestein PC#
Analytical Chemistry, 2016
Petras D, Heiss P, Harrison RA, Süssmuth RD, Calvete JJ
Journal of Proteomics, 2016
The O-carbamoyltransferase Alb15 is responsible for the modification of albicidin
Petras D, Kerwat D, Pesic A, Hempel BF, Von Eckardstein L, Semsary S, Arasté J, Marguerettaz M, Cociancich S, Royer M, Süssmuth RD#
ACS Chemical Biology, 2016
Reyna-González E, Schmid B, Petras D, Süssmuth RD, Dittmann E#
Angewandte Chemie International Edition, 2016
Saleh H, Petras D, Mainz A, Kerwat D, Nalbantsoy A, Erzurumlu Y, Süssmuth RD#
Journal of Natural Products, 2016
Meyer S*, Kehr JC*, Mainz A, Dehm D, Petras D, Süssmuth RD, Dittmann E#
Cell Chemical Biology, 2016
Gocmen B*, Heiss P*, Petras D, Nalbantsoy A, Süssmuth RD#
Toxicon, 2015
Minimum Information about a Biosynthetic Gene cluster
Medema MH#, Kottmann R, Yilmaz P, Cummings M, Biggins JB, Blin K, de Bruijn I, Chooi YH, Claesen J, Coates RC, Cruz-Morales P, Duddela S, Düsterhus S, Edwards DJ, Fewer DP, Garg N, Geiger C, Gomez-Escribano JP, Greule A, Hadjithomas M, Haines AS, Helfrich EJ, Hillwig ML, Ishida K, Jones AC, Jones CS, Jungmann K, Kegler C, Kim HU, Kötter P, Krug D, Masschelein J, Melnik AV, Mantovani SM, Monroe EA, Moore M, Moss N, Nützmann HW, Pan G, Pati A, Petras D, Reen FJ, Rosconi F, Rui Z, Tian Z, Tobias NJ, Tsunematsu Y, Wiemann P, Wyckoff E, Yan X, Yim G, Yu F, Xie Y, Aigle B, Apel AK, Balibar CJ, Balskus EP, Barona-Gómez F, Bechthold A, Bode HB, Borriss R, Brady SF, Brakhage AA, Caffrey P, Cheng YQ, Clardy J, Cox RJ, De Mot R, Donadio S, Donia MS, van der Donk WA, Dorrestein PC, Doyle S, Driessen AJ, Ehling-Schulz M, Entian KD, Fischbach MA, Gerwick L, Gerwick WH, Gross H, Gust B, Hertweck C, Höfte M, Jensen SE, Ju J, Katz L, Kaysser L, Klassen JL, Keller NP, Kormanec J, Kuipers OP, Kuzuyama T, Kyrpides NC, Kwon HJ, Lautru S, Lavigne R, Lee CY, Linquan B, Liu X, Liu W, Luzhetskyy A, Mahmud T, Mast Y, Méndez C, Metsä-Ketelä M, Micklefield J, Mitchell DA, Moore BS, Moreira LM, Müller R, Neilan BA, Nett M, Nielsen J, O'Gara F, Oikawa H, Osbourn A, Osburne MS, Ostash B, Payne SM, Pernodet JL, Petricek M, Piel J, Ploux O, Raaijmakers JM, Salas JA, Schmitt EK, Scott B, Seipke RF, Shen B, Sherman DH, Sivonen K, Smanski MJ, Sosio M, Stegmann E, Süssmuth RD, Tahlan K, Thomas CM, Tang Y, Truman AW, Viaud M, Walton JD, Walsh CT, Weber T, van Wezel GP, Wilkinson B, Willey JM, Wohlleben W, Wright GD, Ziemert N, Zhang C, Zotchev SB, Breitling R, Takano E, Glöckner FO
Nature Chemical Biology, 2015
What makes Xanthomonas albilineans unique amongst xanthomonads?
Pieretti I, Pesic A, Petras D, Royer M, Süssmuth RD, Cociancich S#
Frontiers in Plant Science, 2015
Petras D#, Heiss P, Süssmuth RD and Calvete JJ#
Journal of Proteome Research, 2015
The gyrase inhibitor albicidin consists of para-aminobenzoic acids and cyanoalanine
Cociancich S*, Pesic A*, Petras D*, Uhlmann S, Kretz J, Schubert V, Vieweg L, Duplan S, Marguerettaz M, Noëll J, Pieretti I, Hügelland M, Kemper S, Mainz A, Rott P, Royer M#, Süssmuth RD#
Nature Chemical Biology, 2015
Braner M, Zielonka S, Grzeschik J, Krah S, Lieb S, Petras D, Wagner X, Ahmed I, Hüttenhain SH#
ChemCatChem, 2012
Petras D, Sanz L, Segura A, Herrera M, Villalta M, Solano D, Vargas M, León G, Warrell DA, Theakston RD, Harrison RA, Durfa N, Nasidi A, Gutiérrez JM, Calvete JJ#
Journal of Proteome Research, 2011
Koulman A, Petras D, Narayana VK, Wang L, Volmer DA#
Analytical Chemistry, 2009