| 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 V Durmaz, K Köchl, A Krassnigg, L Parigger, M Hetmann, A Singh, D Nutz, ... Scientific reports 12 (1), 14534, 2022 | 24 | 2022 |
| Enantioselective High‐Throughput Assay Showcased for the Identification of (R)‐ as well as (S)‐Selective Unspecific Peroxygenases for C−H Oxidation A Swoboda, LJ Pfeifenberger, Z Duhović, M Bürgler, I Oroz‐Guinea, ... Angewandte Chemie International Edition 62 (46), e202312721, 2023 | 20 | 2023 |
| Optimizing variant-specific therapeutic SARS-CoV-2 decoys using deep-learning-guided molecular dynamics simulations K Koechl, T Schopper, V Durmaz, L Parigger, A Singh, A Krassnigg, ... Scientific Reports 13 (1), 774, 2023 | 20 | 2023 |
| Recent changes in the mutational dynamics of the SARS-CoV-2 main protease substantiate the danger of emerging resistance to antiviral drugs L Parigger, A Krassnigg, T Schopper, A Singh, K Tappler, K Koechl, ... Frontiers in Medicine 9, 1061142, 2022 | 14 | 2022 |
| Bactericidal Activity to Escherichia coli: Different Modes of Action of Two 24-Mer Peptides SAAP-148 and OP-145, Both Derived from Human Cathelicidine LL-37 A Ön, D Vejzovic, J Jennings, L Parigger, RA Cordfunke, JW Drijfhout, ... Antibiotics 12 (7), 1163, 2023 | 13 | 2023 |
| Folding the human proteome using BioNeMo: a fused dataset of structural models for machine learning purposes M Hetmann, L Parigger, H Sirelkhatim, A Stern, A Krassnigg, K Gruber, ... Scientific data 11 (1), 591, 2024 | 12 | 2024 |
| CavitOmiX drug discovery: engineering antivirals with enhanced spectrum and reduced side effects for arboviral diseases L Parigger, A Krassnigg, M Hetmann, A Hofmann, K Gruber, ... Viruses 16 (8), 1186, 2024 | 7 | 2024 |
| 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, ... Microbiology Spectrum 11 (6), e02315-23, 2023 | 6 | 2023 |
| Preliminary structural proteome of the monkeypox virus causing a multi-country outbreak in May 2022 L Parigger, A Krassnigg, S Grabuschnig, V Resch, K Gruber, ... | 6 | 2022 |
| Specific Cationic Antimicrobial Peptides Enhance the Recovery of Low-Load Quiescent Mycobacterium tuberculosis in Routine Diagnostics TJ Bull, T Munshi, PM Lopez-Perez, AC Tran, C Cosgrove, A Bartolf, ... International Journal of Molecular Sciences 24 (24), 17555, 2023 | 5 | 2023 |
| CavitOmiX drug discovery: engineering antivirals with enhanced spectrum and reduced side effects for arboviral diseases, Viruses, 2024, vol. 16, no. 8 L Parigger, A Krassnigg, M Hetmann | 3 | |
| Ligand-agnostic off-target site prediction for early toxicity screening by leveraging point cloud-based protein cavity analysis L Parigger, T Takai, M Hetmann, A Basu, G Steinkellner, CC Gruber Briefings in Bioinformatics 27 (4), bbag398, 2026 | | 2026 |
| M. tuberculosis meets European Lead Factory–identification and structural characterization of novel Rv0183 inhibitors using X-ray crystallography L Riegler-Berket, L Gödl, N Polidori, P Aschauer, C Grininger, G Prosser, ... Disease and Therapeutics, 100002, 2025 | | 2025 |
| Changes in the mutational dynamics of the SARS-CoV-2 main-protease substantiate the danger of emerging resistance to antiviral drugs. L Parigger, A Krassnigg, T Schopper, A Singh, K Tappler, K Köchl, ... | | 2022 |
| Recent changes in the mutational dynamics of the SARS-CoV-2 main-protease substantiate the danger of emerging resistance to antiviral drugs. C Gruber, L Parigger, A Krassnigg, T Schopper, A Singh, K Tappler, ... | | 2022 |
