Refereed articles | Andreas Krassnigg: Physics, AI and Data Science

Data-driven construction of an imine reductase library capable of broad-scope reductive amination at equimolar substrate concentrations,
By S. A. Berger, C. Grimm, M. Cespugli, A. Krassnigg, T. Schopper, I. Marzuoli, I. Oroz-Guinea, S. Vrabl, L. Roemer, M. A. Weber, F. M. Kulier, Y. Orel, B. M. Nestl, C. C. Gruber, G. Steinkellner, S. Bisagni, F. Gosselin, H. Iding, K. Puentener, D. Wetzl, W. Kroutil, J. H. Schrittwieser,
Nat Commun 17: 10044, 2026
CavitOmiX Drug Discovery: Engineering Antivirals with Enhanced Spectrum and Reduced Side Effects for Arboviral Diseases,
By L. Parigger, A. Krassnigg, M. Hetmann, A. Hofmann, K. Gruber, G. Steinkellner, C. C. Gruber,
Viruses 16: 1186, 2024
Folding the human proteome using BioNeMo: A fused dataset of structural models for machine learning purposes,
By M. Hetmann, L. Parigger, H. Sirelkhatim, A. Stern, A. Krassnigg, K. Gruber, G. Steinkellner, D. Ruau, C. C. Gruber,
Scientific Data 11: 591, 2024
Pole-fitting for complex functions: enhancing standard techniques by artificial-neural-network classifiers and regressors,
By S. Kaidisch, T. Hilger, A. Krassnigg, W. Lucha,
Computer Physics Communications 295: 108998, 2024
Accelerating Biocatalysis Discovery with Machine Learning: A Paradigm Shift in Enzyme Engineering, Discovery, and Design,
M. Braun, C. C. Gruber, A. Krassnigg, A. Kummer, S. Lutz, G. Oberdorfer, E. Siirola, R. Snajdrova,
ACS Catalyis 13: 14454–14469, 2023
AI-assisted structural consensus-proteome prediction of human monkeypox viruses isolated within a year after the 2022 multi-country outbreak,
L. Parigger, A. Krassnigg, S. Grabuschnig, K. Gruber, G. Steinkellner, C. C. Gruber, Microbiology Spectrum: e02315-23, 2023
Identification and validation of fusidic acid and flufenamic acid as inhibitors of SARS-CoV-2 replication using DrugSolver CavitomiX,
M. Hetmann, C. Langner, V. Durmaz, M. Cespugli, K. Köchl, A. Krassnigg, K. Blaschitz, S. Groiss, M. Loibner, D. Ruau, K. Zatloukal, K. Gruber, G. Steinkellner, C. C. Gruber,
Scientific Reports 13: 11783, 2023
Optimizing variant-specific therapeutic SARS-CoV-2 decoys using deep-learning-guided molecular dynamic simulations,
K. Köchl, T. Schopper, V. Durmaz, L. Parigger, A. Singh, A. Krassnigg, M. Cespugli, W. Wu, X. Yang, Y. Zhang, W. W.-S. Wang, C. Selluski, T. Tiehan, X. Xin, C. Bai, L. Lin, Y. Hu, Z. Xie, Z. Zhang, J. Yan, K. Zatloukal, K. Gruber, G. Steinkellner, C. C. Gruber,
Scientific Reports 13: 774, 2023
Recent changes in the mutational dynamics of the SARS-CoV-2 main protease substantiate the danger of emerging resistance to antiviral drugs,
by L. Parigger, A. Krassnigg, T. Schopper, A. Singh, K. Tappler, K. Köchl, M. Hetmann, K. Gruber, G. Steinkellner, C. C. Gruber,
Frontiers in Medicine 9: 1061142, 2022
Structural-bioinformatics analysis of SARS-CoV-2 variants reveals higher hACE2 receptor binding affinity for Omicron B.1.1.529 spike RBD compared to wild-type reference,
by V. Durmaz, K. Köchl, A. Singh, M. Hetmann, L. Parigger, A. Krassnigg, D. Nutz, A. Korsunsky, C. König, L. Chang, M. Krebs, R. Bassetto, T. Pavkov-Keller, V. Resch, K. Gruber, G. Steinkellner, C. C. Gruber,
Scientific Reports 12: 14534, 2022
Aspects of open-flavour mesons in a comprehensive DSBSE study,
By T. Hilger (Vienna, OAW), M. Gómez-Rocha (ECT, Trento), A. Krassnigg (Graz U.), W. Lucha (Vienna, OAW),
Eur.Phys.J.A53:213,2017
View-only online full-text: http://rdcu.be/xNh0 (via Springer Nature SharedIt initiative)
Light-quarkonium spectra and orbital-angular-momentum decomposition in a Bethe-Salpeter-equation approach,
By T. Hilger (Graz U.), M. Gomez-Rocha (Graz U. & Vienna, OAW), A. Krassnigg (Graz U.),
Eur.Phys.J.C77:625,2017
Quasi-exotic open-flavor mesons,
By T. Hilger, A. Krassnigg (Graz U.),
Eur.Phys.J.A53:142,2017
View-only online full-text: http://rdcu.be/tKAe (via Springer Nature SharedIt initiative)
Effects of a dressed quark-gluon vertex in vector heavy-light mesons and theory average of the B(c)* meson mass,
By M. Gomez-Rocha (ECT, Trento), T. Hilger, A. Krassnigg (Graz U.),
Phys.Rev.D93:074010,2016
Effects of a dressed quark-gluon vertex in pseudoscalar heavy-light mesons,
By M. Gomez-Rocha (Graz U. & Vienna, OAW), T. Hilger, A. Krassnigg (Graz U.),
Phys.Rev.D92:054030,2015
Masses of $latex J^{PC} =1^{-+}$ exotic quarkonia in a Bethe-Salpeter-equation approach,
By T. Hilger (Graz U.), M. Gomez-Rocha (Graz U. & Vienna, OAW), A. Krassnigg (Graz U.),
Phys.Rev.D91:114004,2015
Spectra of heavy quarkonia in a Bethe-Salpeter-equation approach,
By T. Hilger, C. Popovici, M. Gomez-Rocha, A. Krassnigg (Graz U.),
Phys.Rev.D91:034013,2015
Bottomonium in a Bethe-Salpeter-equation study,
By M. Blank, A. Krassnigg (Graz U.),
Phys.Rev.D84:096014,2011
Hadronic decays of mesons and baryons in the Dyson-Schwinger approach,
By V. Mader (Graz U.), G. Eichmann (Giessen U.), M. Blank, A. Krassnigg (Graz U.),
Phys.Rev.D84:034012,2011
A covariant study of tensor mesons,
By A. Krassnigg, M. Blank (Graz U.),
Phys.Rev.D83:096006,2011
Matrix algorithms for solving (in)homogeneous bound state equations,
By M. Blank, A. Krassnigg (Graz U.),
Comput.Phys.Commun.182:1391,2011
ρ meson, Bethe-Salpeter equation, and the far infrared,
By M. Blank, A. Krassnigg, A. Maas (Graz U.),
Phys.Rev.D83:034020,2011
The QCD chiral transition temperature in a Dyson-Schwinger-equation context,
By M. Blank, A. Krassnigg (Graz U.),
Phys.Rev.D82:034006,2010
Nucleon mass from a covariant three-quark Faddeev equation,
By G. Eichmann, R. Alkofer, A. Krassnigg, D. Nicmorus (Graz U.),
Phys.Rev.Lett.104:201601,2010
Survey of J=0,1 mesons in a Bethe-Salpeter approach,
By A. Krassnigg (Graz U.),
Phys.Rev.D80:114010,2009
Delta-baryon mass in a covariant Faddeev approach,
By D. Nicmorus, G. Eichmann, A. Krassnigg, R. Alkofer (Graz U.),
Phys.Rev.D80:054028,2009
Toward unifying the description of meson and baryon properties,
By G. Eichmann (Argonne, PHY & Graz U.), I.C. Cloet (Argonne, PHY), R. Alkofer, A. Krassnigg (Graz U.), C.D. Roberts (Argonne, PHY),
Phys.Rev.C79:012202(R),2009
Perspective on rainbow-ladder truncation,
By G. Eichmann (Argonne, PHY & Graz U.), R. Alkofer (Graz U.), I.C. Cloet (Argonne, PHY), A. Krassnigg (Graz U.), C.D. Roberts (Argonne, PHY),
Phys.Rev.C77:042202(R),2008
A covariant view on the nucleons’ quark core,
By G. Eichmann, A. Krassnigg, M. Schwinzerl, R. Alkofer (Graz U.),
Annals Phys.323:2505-2553,2008
Schwinger functions and light-quark bound states,
By M.S. Bhagwat (Argonne, PHY), A. Hoell (Rostock U.), A. Krassnigg (Graz U.), C.D. Roberts, S.V. Wright (Argonne, PHY),
Few Body Syst.40:209-235,2007
Aspects of the confinement mechanism in Coulomb-gauge QCD,
By R. Alkofer, M. Kloker, A. Krassnigg, and R. F. Wagenbrunn (Graz U.),
Phys.Rev.Lett.96:022001,2006
Electromagnetic properties of ground and excited state pseudoscalar mesons,
By A. Höll, A. Krassnigg (Argonne, PHY), P. Maris (Pittsburgh U.), C.D. Roberts, and S.V.
Wright (Argonne, PHY),
Phys.Rev.C71:065204,2005
On nucleon electromagnetic form-factors,
By R. Alkofer (Tubingen U.), A. Höll (Argonne, PHY), M. Kloker (Tubingen U.), A. Krassnigg, and C.D. Roberts (Argonne, PHY),
Few Body Syst.37:1-31,2005
Axial-vector mesons in a relativistic point-form approach,
By A. Krassnigg (Argonne, PHY),
Phys.Rev.C72:028201,2005
Pseudoscalar meson radial excitations,
By A. Höll, A. Krassnigg, and C.D. Roberts (Argonne, PHY),
Phys.Rev.C70:042203,2004
Aspects and consequences of a dressed-quark-gluon vertex,
By M.S. Bhagwat (Kent State U.), A. Höll, A. Krassnigg, C.D. Roberts (Argonne, PHY), and P.C. Tandy (Kent State U.),
Phys.Rev.C70:035205,2004
Regarding proton form factors,
By J.C.R. Bloch (Tubingen U.), A. Krassnigg, C.D. Roberts (Argonne, PHY),
Few Body Syst.33:219-232,2003
Vector mesons in a relativistic point-form approach,
By A. Krassnigg, W. Schweiger (Graz U.), W. H. Klink (Iowa U.),
Phys.Rev.C67:064003,2003
Faddeev approach to confined three quark problems,
By Z. Papp (Debrecen, Inst. Nucl. Res.), A. Krassnigg, W. Plessas (Graz U.),
Phys.Rev.C62:044004,2000