Theoretical Biochemistry Group

Institute for Theoretical Chemistry

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Recent Publications

All our recent publications (from this year) are on display right here on this page. For older publications choose a period from the menu.

Preliminary versions of most of our work can be found on our pre-print server.


Suriyan Thengyai, Yuewei Guo, Khanit Suwanborirux, Heinz Berner, Helmut Spreitzer, Peter Wolschann, Supa Hannongbua and Anuchit Plubrukarn
2D‐QSAR and CoMFA Models for Antitubercular Activity of Scalarane‐Type Sesterterpenes
Sci. Pharm. 2022, 90, 47, doi:10.3390/scipharm90030047
Amy Oo, Panupong Mahalapbutr, Kuakarun Krusong, Ponsiri Liangsakul, Sariyarach Thanasansurapong, Vichai Reutrakul, Chutima Kuhakarn, Phornphimon Maitarad, Atit Silsirivanit, Peter Wolschann, Siyaporn Putthisen, Khanittha Kerdpol, Thanyada Rungrotmongkol
Inclusion complexation of emodin with various b-cyclodextrin derivatives: Preparation, characterization, molecular docking, and anticancer activity
Journal of Molecular Liquids Volume 367, Part A, 1 December 2022, 120314, doi:10.1016/j.molliq.2022.120314
Stadler, P. F., & Will, S.
Bi-alignments with affine gaps costs.
Algorithms for Molecular Biology, 17(1), [10], doi:10.1186/s13015-022-00219-7
D'Souza, M. H., Mrozowich, T., Badmalia, M. D., Geeraert, M., Frederickson, A., Henrickson, A., Demeler, B., Wolfinger,M. T., & Patel, T. R.
Biophysical characterisation of human LincRNA-p21 sense and antisense Alu inverted repeats.
Nucleic Acids Research, 50(10), 5881-5898, doi:10.1093/nar/gkac414
Wortz, J., Smith, V., Fallmann, J., Koenig, S., Thuraisingam, T., Walther, P., Urlaub, H., Stadler, P. F., Allers, T., Hille, F., & Marchfelder, A.
Cas1 and Fen1 Display Equivalent Functions During Archaeal DNA Repair.
Frontiers in Microbiology, 13, [822304], doi:10.3389/fmicb.2022.822304
Engelhardt, J., Scheer, O., Stadler, P. F., & Prohaska, S. J.
Evolution of DNA Methylation Across Ecdysozoa.
Journal of Molecular Evolution, 90(1), 56-72, doi:10.1007/s00239-021-10042-0
Reinhardt, F., & Stadler, P. F.
ExceS-A: an exon-centric split aligner.
Journal of Integrative Bioinformatics, 19(1), doi:10.1515/jib-2021-0040
Flamm, C., Hellmuth, M., Merkle, D., Nojgaard, N., & Stadler, P. F.
Generic Context-Aware Group Contributions.
I E E E - A C M Transactions on Computational Biology and Bioinformatics, 19(1), 429-442, doi:10.1109/TCBB.2020.2998948
Gosavi, D., Wower, I., Beckmann, I. K., Hofacker, I. L., Wower, J., Wolfinger, M. T., & Sztuba-Solinska, J.
Insights into the secondary and tertiary structure of the Bovine Viral Diarrhea Virus internal Ribosome Entry Site.
RNA Biology, 19 (1), 496-506, doi:10.1080/15476286.2022.2058818
Ender, A., Grafl, N., Kolberg, T., Findeiss, S., Stadler, P. F., & Moerl, M.
Synthetic riboswitches for the analysis of tRNA processing by eukaryotic RNase P enzymes.
RNA, 28(4), 551-567, doi:10.1261/rna.078814.121
Mrozowich, T., Park, S. M., Wolfinger, M. T., & Patel, T. R.
Investigating flaviviral genomic cyclization.
Biophysical Journal, 121(3), 311A-311A, doi:10.1016/j.bpj.2021.11.1203
Park, S. M., Mrozowich, T., Wolfinger, M. T., & Patel, T. R.
Investigating Japanese encephalitis virus long-range terminal region interactions.
Biophysical Journal, 121(3), 206A-206A, doi:10.1016/j.bpj.2021.11.1703
Kamonpan Sanachai, Tuanjai Somboon, Patcharin Wilasluck, Peerapon Deetanya, Peter Wolschann, Thierry Langer, Vannajan Sanghiran Lee, Kittikhun Wangkanont, Thanyada Rungrotmongkol, Supot Hannongbua
Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening
PLoS ONE 17(6): e0269563, doi:10.1371/journal.pone.0269563