HITS Publications

2024

• Guerra J, Belleri M, Paiardi G, Tobia C, Capoferri D, Corli M, Scalvini E, Ghirimoldi M, Manfredi M, Wade RC, Presta M, Mignani L (2024). Impact of an irreversible β-galactosylceramidase inhibitor on the lipid profile of zebrafish embryos, Computational and Structural Biotechnology Journal 23:1397-1407 1839
• D’Arrigo G, Kokh DB, Nunes-Alves A, Wade RC (2024). Computational screening of the effects of mutations on protein-protein off-rates and dissociation mechanisms by τRAMD, Commun Biol 7(1),1159 1880
• Charou D, Rogdakis T, Latorrata A, Valcarcel M, Papadogiannis V, Athanasiou C, Tsengenes A, Papadopoulou MA, Lypitkas D, Lavigne MD, Katsila T, Wade RC, Cader MZ, Calogeropoulou T, Gravanis A, Charalampopoulos I (2024). Comprehensive characterization of the neurogenic and neuroprotective action of a novel TrkB agonist using mouse and human stem cell models of Alzheimer’s disease, Stem Cell Res Ther 15(1),200 1886
• Miller JM, Holladay DA, Peterson JH, Mauney CM, Berger R, Graham AP, Tsai KC, Barker B, Holas A, Mattsson AE, Gogilashvili M, Dolence JC, Meyer CD, Swaminarayan S, Junghans C (2024). Singularity-EOS: Performance Portable Equations of State and Mixed Cell Closures, JOSS 9(103):6805 1887
• Paiardi G, Ferraz M, Rusnati M, Wade RC (2024). The accomplices: Heparan sulfates and N-glycans foster SARS-CoV-2 spike:ACE2 receptor binding and virus priming, Proc. Natl. Acad. Sci. U.S.A. 121(43),e2404892121 1872
• Han SB, Teuffel J, Mukherjee G, Wade RC (2024). Multiresolution molecular dynamics simulations reveal the interplay between conformational variability and functional interactions in membrane‐bound cytochrome P450 2B4, Protein Science 33(10),e5165 1870
• Henneco J, Schneider FRN, Hekker S, Aerts C (2024). Merger seismology: Distinguishing massive merger products from genuine single stars using asteroseismology, A&A 690:A65 1889
• Elter M, Brosz M, Sucerquia D, Kuzhelev A, Kiesewetter DC, Kurth M, Dreuw A, Prisner TF, Freudenberg J, Bunz UHF, Gräter F (2024). Breaking Strong Alkynyl-Phenyl Bonds: Poly(para-phenylene ethynylene)s under Mechanical Stress, Journal of the American Chemical Society 1866
• Nag P, Hong Y, Abdulah S, Qadir GA, Genton MG, Sun Y (2024). Efficient large-scale nonstationary spatial covariance function estimation using convolutional neural networks, Journal of Computational and Graphical Statistics, published online 1868
• Walz E, Knippertz P, Fink AH, Köhler G, Gneiting T (2024). Physics-based vs. data-driven 24-hour probabilistic forecasts of precipitation for northern tropical Africa, Monthly Weather Review, 152(9):2011–2031 1845
• Braun TAM, Ahlborn F, Weiss A (2024). Testing a non-local 1-equation turbulent convection model: A solar model, A&A 689:A292 1863
• Hu X, Abaza H, Hänsel R, Abedi M, Golebiewski M, Müller W, Meineke F (2024). NFDI4Health Local Data Hubs Implementing a Tailored Metadata Schema for Health Data, German Medical Data Sciences 2024,IOS Press 1869
• Löbe M, Hu X, Klopfenstein SA (2024). Using Health IT Standards to Facilitate Metadata Exchange Between Research Data Management Systems, Digital Health and Informatics Innovations for Sustainable Health Care Systems,IOS Press 1861
• Gryn’ova G, Bereau T, Müller C, Friederich P, Wade RC, Nunes-Alves A, Soares TA, Merz K (2024). EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning, J. Chem. Inf. Model. 64(15):5737-5738 1855
• Gryn’ova G, Bereau T, Müller C, Friederich P, Wade RC, Nunes-Alves A, Soares TA, Merz K (2024). EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning, J. Chem. Inf. Model. 2024, 64, 15, 5737–5738 1856
• Bermúdez-Bustamante LC, Marco OD, Siess L, Price DJ, González-Bolívar M, Lau MYM, Mu C, Hirai R, Danilovich T, Kasliwal MM (2024). Dust formation in common envelope binary interactions – II: 3D simulations with self-consistent dust formation, Monthly Notices of the Royal Astronomical Society,stae1841 1854
• Sokolov M, Hoffmann DS, Dohmen PM, Krämer M, Höfener S, Kleinekathöfer U, Elstner M (2024). Non-adiabatic molecular dynamics simulations provide new insights into the exciton transfer in the Fenna–Matthews–Olson complex, Phys. Chem. Chem. Phys., 2024,26, 19469-19496 1857
• Ghalami F, Dohmen PM, Krämer M, Elstner M, Xie W (2024). Nonadiabatic Simulation of Exciton Dynamics in Organic Semiconductors Using Neural Network-Based Frenkel Hamiltonian and Gradients, J. Chem. Theory Comput. 2024, 20, 14, 6160–6174 1858
• Togkousidis A, Stamatakis A, Gascuel O (2024). Much Ado About Nothing: Accelerating Maximum Likelihood Phylogenetic Inference via Early Stopping to evade (Over-)optimization, biorxiv;2024.07.04.602058v1,[Preprint] 1879
• Pigeot I, Ahrens W, Darms J, Fluck J, Golebiewski M, Hahn HK, Hu X, Intemann T, Kasbohm E, Kirsten T, Klammt S, Klopfenstein SAI, Lassen-Schmidt B, Peters M, Sax U, Waltemath D, Schmidt CO (2024). Making Epidemiological and Clinical Studies FAIR Using the Example of COVID-19, Datenbank Spektrum 24(2):117-128 1862
• Structural bioinformatics approach to exploring transient binding pockets in proteins, (Bachelor’s Thesis), Biochemistry, Faculty of Biosciences and Faculty of Chemistry and Earth Sciences, Ruprecht-Karls University, Heidelberg (Bachelor's Thesis) 1874
• Liu W, Wan S, Strube M (2024). What causes the failure of explicit to implicit discourse relation recognition?, Proceedings of the 2024 Annual Conference of the North American Chapter of the Association for Computational Linguistics, Mexico City, Mexico, June 16-21, 2024 1830
• Elias-Rosa N, Brennan S, Benetti S, Cappellaro E, Pastorello A, Kozyreva A, Lundqvist P, Fraser M, Anderson J, Cai Y-, Chen T-, Dennefeld M, Gromadzki M, Gutiérrez C, Ihanec N, Inserra C, Kankare E, Kotak R, Mattila S, Moran S, Müller-Bravo T, Pessi P, Pignata G, Reguitti A, Reynolds T, Smartt S, Smith K, Tartaglia L, Valerin G, Boer Td, Chambers K, Gal-Yam A, Gao H, Geier S, Mazzali P, Nicholl M, Ragosta F, Rest A, Yaron O, Young D (2024). SN 2020pvb: A Type IIn-P supernova with a precursor outburst, A&A 686:A13 1848
• Pakmor R, Seitenzahl IR, Ruiter AJ, Sim SA, Röpke FK, Taubenberger S, Bieri R, Blondin S (2024). Type Ia supernova explosion models are inherently multidimensional, A&A 686:A227 1849
• Leidi G, Andrassy R, Barsukow W, Higl J, Edelmann P, Röpke F (2024). Performance of high-order Godunov-type methods in simulations of astrophysical low Mach number flows, A&A 686:A34 1850
• Gensior J, Feldmann R, Reina-Campos M, Trujillo-Gomez S, Mayer L, Keller BW, Wetzel A, Kruijssen JMD, Hopkins PF, Moreno J (2024). H  i discs of L* galaxies as probes of the baryonic physics of galaxy evolution, Monthly Notices of the Royal Astronomical Society 531(1):1158-1178 1883
• Dimitriadis T, Gneiting T, Jordan AI, Vogel P (2024). Evaluating probabilistic classifiers: The triptych, International Journal of Forecasting, 40(3):1101–1122 1735
• Boushehri S, Holey H, Brosz M, Gumbsch P, Pastewka L, Aponte-Santamaría C, Gräter F (2024). O-glycans Expand Lubricin and Attenuate Its Viscosity and Shear Thinning, Biomacromolecules,25(7):3893-3908 1865
• Taha D, Zhao W, Riestenberg JM, Strube M (2024). Normed spaces for graph embedding, Transactions of Machine Learning Research (05/2024) 1838
• Lopez VK, Cramer EY, Pagano R, Drake JM, O'Dea EB, Adee M, Ayer T, Chhatwal J, Dalgic OO, Ladd MA, Linas BP, Mueller PP, Xiao J, Bracher J, Castro Rivadeneira AJ, Gerding A, Gneiting T, Huang Y, Jayawardena D, Kanji AH, Le K, Mühlemann A, Niemi J, Ray EL, Stark A, Wang Y, Wattanachit N, Zorn MW, Pei S, Shaman J, Yamana TK, Tarasewicz SR, Wilson DJ, Baccam S, Gurung H, Stage S, Suchoski B, Gao L, Gu Z, Kim M, Li X, Wang G, Wang L, Wang Y, Yu S, Gardner L, Jindal S, Marshall M, Nixon K, Dent J, Hill AL, Kaminsky J, Lee EC, Lemaitre JC, Lessler J, Smith CP, Truelove S, Kinsey M, Mullany LC, Rainwater-Lovett K, Shin L, Tallaksen K, Wilson S, Karlen D, Castro L, Fairchild G, Michaud IJ, Osthus D, Bian J, Cao W, Gao Z, Lavista Ferres J, Li C, Liu T, Xie X, Zhang S, Zheng S, Chinazzi M, Davis JT, Mu K, Pastory y Piontti A, Vespignani A, Xiong X, Walraven R, Chen J, Gu Q, Wang L, Xu P, Zhang W, Zou D, Gibson GC, Sheldon D, Srivastava A, Adiga A, Hurt B, Kaur G, Lewis B, Marathe M, Peddireddy AS, Porebski P, Venkatramanan S, Wang L, Prasad PV, Walker JW, Webber AE, Slayton RB, Biggerstaff M, Reich NG, Johansson MA (2024). Challenges of COVID-19 case forecasting in the US, 2020–2021, PLOS Computational Biology, 20(5):e1011200 1843
• Wade RC (2024). Editorial: The Journal of Molecular Recognition: Changing of the guard, J of Molecular Recognition 37(3),e3081 1840
• Callan F, Sim S, Collins C, Shingles L, Lach F, Röpke F, Pakmor R, Kromer M, Srivastav S (2024). Including a luminous central remnant in radiative transfer simulations for Type Iax supernovae, Monthly Notices of the Royal Astronomical Society 530(2):1457-1473 1851
• De Lucia G, Kruijssen JMD, Trujillo-Gomez S, Hirschmann M, Xie L (2024). On the origin of globular clusters in a hierarchical universe, Monthly Notices of the Royal Astronomical Society 530(3):2760-2777 1884
• Prust LJ, Glanz H, Bildsten L, Perets HB, Röpke FK (2024). Morphology and Mach Number Dependence of Subsonic Bondi–Hoyle Accretion, ApJ 966(1):103 1852
• Lau M, Hirai R, Mandel I, Tout CA (2024). Expansion of Accreting Main-sequence Stars during Rapid Mass Transfer 1836
• Han SB, Teuffel J, Mukherjee G, Wade RC (2024). Multiresolution molecular dynamics simulations reveal the interplay between conformational variability and functional interactions in membrane-bound cytochrome 2B4, biorxiv;2024.04.18.590076v2,[Preprint] 1860
• Jeon S, Yeh C, Inan H, Hsu W, Rungta R, Mehdad Y, Bikel D (2024). Attention or convolution: Transformer encoders in audio language models for inference efficiency, Proceedings of the Workshop on Self-supervision in Audio, Speech and Beyond at IEEE ICASSP, Seoul, South Korea, 14 April 2024. 1789
• Stiller J, Feng S, Chowdhury A, Rivas-González I, Duchêne DA, Fang Q, Deng Y, Kozlov A, Stamatakis A, Claramunt S, Nguyen JMT, Ho SYW, Faircloth BC, Haag J, Houde P, Cracraft J, Balaban M, Mai U, Chen G, Gao R, Zhou C, Xie Y, Huang Z, Cao Z, Yan Z, Ogilvie HA, Nakhleh L, Lindow B, Morel B, Fjeldså J, Hosner PA, Fonseca RRd, Petersen B, Tobias JA, Székely T, Kennedy JD, Reeve AH, Liker A, Stervander M, Antunes A, Tietze DT, Bertelsen M, Lei F, Rahbek C, Graves GR, Schierup MH, Warnow T, Braun EL, Gilbert MTP, Jarvis ED, Mirarab S, Zhang G (2024). Complexity of avian evolution revealed by family-level genomes, Nature 1832
• Weidner P, Saar D, Söhn M, Schroeder T, Yu Y, Zöllner FG, Ponelies N, Zhou X, Zwicky A, Rohrbacher FN, Pattabiraman VR, Tanriver M, Bauer A, Ahmed H, Ametamey SM, Riffel P, Seger R, Bode JW, Wade RC, Ebert MP, Kragelund BB, Burgermeister E (2024). Myotubularin-related-protein-7 inhibits mutant (G12V) K-RAS by direct interaction, Cancer Letters 588:216783 1841
• Kozyreva A, Morán-Fraile J, Holas A, Bronner VA, Röpke FK, Pavlyuk N, Mironov A, Tsvetkov D (2024). Thermonuclear explosions as Type II supernovae, A&A 684:A97 1846
• Seute L, Hartmann E, Stühmer J, Gräter F (2024). Grappa – A Machine Learned Molecular Mechanics Force Field, arXiv,physics.chem-ph,2404.00050 1828
• Investigation of the impact of mutations in Cytochrome P450 reductase on the rate of electron transfer to Cytochrome P450 by molecular dynamics simulations, (Master’s Thesis), Chemistry, Department of Chemistry, Ruprecht-Karls University, Heidelberg (Master's Thesis) 1873
• Ma X, Strube M, Zhao W (2024). Graph-based clustering for detecting semantic change across time and languages, Proceedings of the 18th Conference of the European Chapter of the Association for Computational Linguistics, St. Julians, Malta, 17-22 March, 2024, pp.1542-1561 1788
• Haag J, Jordan AI, Stamatakis A (2024). Pandora: A Tool to Estimate Dimensionality Reduction Stability of Genotype Data, biorxiv;2024.03.14.584962v1,[Preprint] 1833
• Fosten J, Gutknecht D, Pohle M (2024). Testing quantile forecast optimality, Journal of Business & Economic Statistics, 42(4):1367–1378 1786
• Wiegert J, Höhler D, Haag J, Stamatakis A (2024). Predicting Phylogenetic Bootstrap Values via Machine Learning, biorxiv;2024.03.04.583288v1,[Preprint] 1834
• Morán-Fraile J, Holas A, Röpke FK, Pakmor R, Schneider FRN (2024). Faint calcium-rich transient from a double detonation of a 0.6 M⊙ carbon-oxygen white dwarf star, Astronomy and Astrophysics 1739
• Ono M, Nozawa T, Nagataki S, Kozyreva A, Orlando S, Miceli M, Chen K (2024). The impact of effective matter mixing based on three-dimensional hydrodynamical models on the molecule formation in the ejecta of SN 1987A, ApJS 271:33 1662
• Feeney T, Petry J, Torche A, Hauschild D, Hacene B, Wansorra C, Diercks A, Ernst M, Weinhardt L, Heske C, Gryn’ova G, Paetzold UW, Fassl P (2024). Understanding and exploiting interfacial interactions between phosphonic acid functional groups and co-evaporated perovskites, Matter,S2590238524000675 1816
• Andrassy R, Leidi G, Higl J, Edelmann PVF, Schneider FRN, Röpke FK (2024). Towards a self-consistent model of the convective core boundary in upper main sequence stars, A&A 683:A97 1823
• Horat N, Lerch S (2024). Deep learning for postprocessing global probabilistic forecasts on subseasonal time scales, Monthly Weather Review, 152(3):667–687 1825
• Song M, Yang D, Lerch S, Xia X, Yagli GM, Bright JM, Shen Y, Liu B, Liu X, Mayer MJ (2024). Non-crossing quantile regression neural network as a calibration tool for ensemble weather forecasts, Advances in Atmospheric Sciences, 41(7):1417–1437 1826
• Noll A, Basu S, Hekker S (2024). Effect of nuclear reactions rates and core boundary mixing on the seismology of red clump stars, A&A 683:A189 1827
• Leiter C, Lertvittayakumjorn P, Fomicheva M, Zhao W, Gao Y, Eger S (2024). Towards explainable evaluation metrics for machine translation, Journal of Machine Learning Research, 25(75), pp.1-49 1835
• Schulze S, Fransson C, Kozyreva A, Chen T, Yaron O, Jerkstrand A, Gal-Yam A, Sollerman J, Yan L, Kangas T, Leloudas G, Omand CM, Smartt SJ, Yang Y, Nicholl M, Sarin N, Yao Y, Brink TG, Sharon A, Rossi A, Chen P, Chen Z, Cikota A, De K, Drake AJ, Filippenko AV, Fremling C, Fréour L, Fynbo JP, Ho AY, Inserra C, Irani I, Kuncarayakti H, Lunnan R, Mazzali P, Ofek EO, Palazzi E, Perley DA, Pursiainen M, Rothberg B, Shingles LJ, Smith K, Taggart K, Tartaglia L, Zheng W, Anderson JP, Cassara L, Christensen E, Djorgovski SG, Galbany L, Gkini A, Graham MJ, Gromadzki M, Groom SL, Hiramatsu D, Howell DA, Kasliwal MM, McCully C, Müller-Bravo TE, Paiano S, Paraskeva E, Pessi PJ, Polishook D, Rau A, Rigault M, Rusholme B (2024). 1100 days in the life of the supernova 2018ibb. The best pair-instability supernova candidate, to date, A&A 683:A223 1847
• Riedmiller K, Reiser P, Bobkova E, Maltsev K, Gryn’ova G, Friederich P, Gräter F (2024). Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins, Chem. Sci. 15(7):2518-2527 1795
• Walz E, Henzi A, Ziegel J, Gneiting T (2024). Easy uncertainty quantification (EasyUQ): Generating predictive distributions from single-valued model output, SIAM Review, 66(1):91–122 1782
• Roessner R, Michelarakis N, Gräter F, Aponte-Santamaría C (2024). Mechanical control of the adhesion of malaria-infected erythrocytes to the placenta, Biophysical Journal,123(3):197a 1787
• Cetin M, Pinamonti V, Schmid T, Boschert T, Fuentes AM, Kromer K, Lerner T, Zhang J, Herzig Y, Ehlert C, Hernandez-Hernandez M, Samaras G, Torres CM, Fisch L, Dragan V, Kouwenhoven A, Schoubroeck BV, Wils H, Hove CV, Platten M, Green EW, Stevenaert F, Felix NJ, Lindner JM (2024). T-FINDER: A highly sensitive, pan-HLA platform for functional T cell receptor and ligand discovery, Sci. Adv. 10(5),eadk3060 1783
• Bracher J, Koster N, Krüger F, Lerch S (2024). Learning to forecast: The Probabilistic Time Series Forecasting Challenge, The American Statistician, 78(1):115–127 1660
• Brehmer JR, Gneiting T, Herrmann M, Marzocchi W, Schlather M, Strokorb K (2024). Comparative evaluation of point process forecasts, Annals of the Institute of Statistical Mathematics, 76:47–71 1692
• Henneco J, Schneider FRN, Laplace E (2024). Contact tracing of binary stars: Pathways to stellar mergers, A&A 682:A169 1814
• Paiardi G, Milanesi M, Ferraz M, Zimmermann L, Urbinati C, Oreste P, Caccuri F, Chlanda P, Rusnati M, Wade RC (2024). The role of heparin in spike SARS-CoV-2 infection: From a model for heparan sulfates to a starting structure for antivirals, Biophysical Journal 123(3):157a-158a 1842
• Lioutas G, Bauswein A, Soultanis T, Pakmor R, Springel V, Röpke FK (2024). General relativistic moving-mesh hydrodynamic simulations with AREPO and applications to neutron star mergers, Monthly Notices of the Royal Astronomical Society 528(2):1906-1929 1853
• Arend D, Conte AD, Feser M, Gadiya Y, Gaignard A, Castro LJ, Mičetić I, Moretti S, Neumann S, Rayya N, Tsueng G, Willighagen E, Wittig U (2024). Bioschemas Resource Index for Chem and Plants, osf.io/yxunp,[Preprint] 1777
• Buchele L, Bellinger EP, Hekker S, Basu S, Ball W, Christensen-Dalsgaard J (2024). Asteroseismic Inversions for Internal Sound Speed Profiles of Main-sequence Stars with Radiative Cores, ApJ 961(2):198 1773
• Back S, Aspuru-Guzik A, Ceriotti M, Gryn'ova G, Grzybowski B, Gu GH, Hein J, Hippalgaonkar K, Hormázabal R, Jung Y, Kim S, Kim WY, Moosavi SM, Noh J, Park C, Schrier J, Schwaller P, Tsuda K, Vegge T, Lilienfeld OAv, Walsh A (2024). Accelerated chemical science with AI, Digital Discovery 3(1):23-33 1772
• Golebiewski GMM (2024). Standardization landscape, needs and gaps for the virtual human twin (VHT) 1817
• Golebiewski GMM (2024). EDITH standards implementation guide (IG) 1818
• Riedmiller K, Reiser P, Bobkova E, Maltsev K, Gryn'ova G, Friederich P, Gräter F (2024). Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins, Chemical Science 1770
• Riedmiller K, Reiser P, Bobkova E, Maltsev K, Gryn’ova G, Friederich P, Gräter F (2024). Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins, Chem. Sci.,10.1039.D3SC03922F 1781
• Li S, Sanhueza P, Beuther H, Chen HV, Kuiper R, Olguin FA, Pudritz RE, Stephens IW, Zhang Q, Nakamura F, Lu X, Kuruwita RL, Sakai T, Henning T, Taniguchi K, Li F (2024). Observations of high-order multiplicity in a high-mass stellar protocluster, Nat Astron 1771
• Moran-Fraile J, Roepke FK, Pakmor R, Aloy MA, Ohlmann ST, Schneider FRN, Leidi G (2024). Self-consistent magnetohydrodynamic simulation of jet launching in a neutron star – white dwarf merger, Astronomy & Astrophysics 1738
• Richter S, Jin F, Ritterhoff T, Fergin A, Maurer E, Frank A, Hajnal A, Klevit R, Gräter F, Flotho A, Melchior F (2024). SUMO’s intrinsically disordered N-terminus is an intramolecular inhibitor of SUMO – SIM interactions, bioRxiv 1763
• Schimunek J, Seidl P, Elez K, Hempel T, Le T, Noé F, Olsson S, Raich L, Winter R, Gokcan H, Gusev F, Gutkin EM, Isayev O, Kurnikova MG, Narangoda CH, Zubatyuk R, Bosko IP, Furs KV, Karpenko AD, Kornoushenko YV, Shuldau M, Yushkevich A, Benabderrahmane M, Bousquet-Melou P, Bureau R, Charton B, Cirou B, Gil G, Allen WJ, Sirimulla S, Watowich S, Antonopoulos N, Epitropakis N, Krasoulis A, Pitsikalis V, Theodorakis S, Kozlovskii I, Maliutin A, Medvedev A, Popov P, Zaretckii M, Eghbal-zadeh H, Halmich C, Hochreiter S, Mayr A, Ruch P, Widrich M, Berenger F, Kumar A, Yamanishi Y, Zhang K, Bengio E, Bengio Y, Jain M, Korablyov M, Liu C, Gilles M, Glaab E, Barnsley K, Iyengar SM, Ondrechen MJ, Haupt VJ, Kaiser F, Schroeder M, Pugliese L, Albani S, Athanasiou C, Beccari A, Carloni P, D'Arrigo G, Gianquinto E, Goßen J, Hanke A, Joseph BP, Kokh DB, Kovachka S, Manelfi C, Mukherjee G, Muñiz-Chicharro A, Musiani F, Nunes-Alves A, Paiardi G, Rossetti G, Sadiq SK, Spyrakis F, Talarico C, Tsengenes A, Wade R, Copeland C, Gaiser J, Olson DR, Roy A, Venkatraman V, Wheeler TJ, Arthanari H, Blaschitz K, Cespugli M, Durmaz V, Fackeldey K, Fischer PD, Gorgulla C, Gruber C, Gruber K, Hetmann M, Kinney JE, Das KMP, Pandita S, Singh A, Steinkellner G, Tesseyre G, Wagner G, Wang Z, Yust RJ, Druzhilovskiy DS, Filimonov D, Pogodin PV, Poroikov V, Rudik AV, Stolbov LA, Veselovsky AV, Rosa MD, Simone GD, Gulotta MR, Lombino J, Mekni N, Perricone U, Casini A, Embree A, Gordon DB, Lei D, Pratt K, Voigt CA, Chen K, Jacob Y, Krischuns T, Lafaye P, Zettor A, Rodríguez ML, White KM, Fearon D, Delft Fv, Walsh MA, Horvath D, Brooks CL, Falsafi B, Ford B, García-Sastre A, Lee SY, Naffakh N, Varnek A, Klambauer G, Hermans TM (2024). A community effort in SARS‐CoV‐2 drug discovery, Molecular Informatics 43(1),e202300262 1723
• Maltsev K, Schneider F, Röpke F, Jordan AI, Qadir GA, Kerzendorf W, Riedmiller K, Smagt Pvd (2024). Scalable stellar evolution forecasting – Deep learning emulation versus hierarchical nearest-neighbor interpolation, A&A 681:A86 1794
• D'Anna F, Jareborg N, Jetten M, Ahokas M, Alper P, Andrews R, Bösl K, D’Altri T, Faria D, Fatima N, Fuchs S, Garrard C, Gu W, Heil KF, Kallberg Y, Licciulli F, Lübke N, Melo AMP, Mičetić I, Oliveira J, Oulas A, Palagi PM, Poterlowicz K, Perez-Sitja X, Ruch P, Sansone S, Schnitzer H, Gelder Cv, Vergoulis T, Wibberg D, Wittig U, Leskošek B, Vondrasek J, Andrabi M (2024). A research data management (RDM) community for ELIXIR, F1000Res 13:230 1829
• Ruff R, Reiser P, Stühmer J, Friederich P (2024). Connectivity optimized nested line graph networks for crystal structures, Digital Discovery 3(3):594–601 1831
• Gianniotis N, Polsterer KL, Pérez IIC (2024). Positive and Scale Invariant Gaussian Process Latent Variable Model for Astronomical Spectra, ESANN 2024 proceesdings,pp.315-320,Ciaco - i6doc.com 1867