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.
Theoretical Biochemistry Group
Institute for Theoretical Chemistry
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2023
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23-001 Farman, M. R., Petrackova, D., Kumar, D., Drzmisek, J., Saha, A., Curnova, I., Capek, J., Hejnarova, V., Amman, F., Hofacker, I. & Vecerek, B. Avirulent phenotype promotes Bordetella pertussis adaptation to the intramacrophage environment Emerging microbes & infections. 12, 1, 16 p., 2146536, doi:10.1080/22221751.2022.2146536 |
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23-002 Chonnikan Hanpaibool, Natharin Ngamwongsatit, Puey Ounjai, Sirilata Yotphan, Peter Wolschann, Adrian J. Mulholland, James Spencer, and Thanyada Rungrotmongkol Pyrazolones Potentiate Colistin Activity against MCR-1-Producing Resistant Bacteria: Computational and Microbiological Study ACS Omega 2023, 8, 9, 8366-8376 (Article), doi:10.1021/acsomega.2c07165 |
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23-003 Stefan Badelt, Ronny Lorenz, Ivo L Hofacker DrTransformer: heuristic cotranscriptional RNA folding using the nearest neighbor energy model Bioinformatics, Volume 39, Issue 1, January 2023, btad034, doi:10.1093/bioinformatics/btad034 |
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23-004 Roman Ochsenreiter and Michael T. Wolfinger Strukturierte RNAs in Viren (in German) BIOspektrum 02.23:156 (2023), doi:10.1007/s12268-023-1907-x |
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23-005 Tyler Mrozowich, Sean Park, Maria Waldl, Amy Henrickson, Scott Tersteeg, Corey R. Nelson, Anneke Deklerk, Borries Demeler, Ivo L. Hofacker, Michael T. Wolfinger, Trushar R. Patel Investigating RMA-RNA interactiona through computational and biophysical analysis Nucleic Acids Res. (2023), doi:10.1093/nar/gkad223 |
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23-006 Nitchakan Darai, Kowit Hengphasatporn, Peter Wolschann, Michael T. Wolfinger, Yasuteru Shigeta, Thanyada Rungrotmongkol and Ryuhei Harada A Structural Refinement Technique for Protein-RNA Complexes Using Combination of AI-based Modeling and Flexible Docking: A Study of Musashi-1 Protein Bulletin of the Chemical Society of Japan, doi:10.1246/bcsj.20230092 |
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23-007 Nitchakan Darai, Kowit Hengphasatporn, Peter Wolschann, Michael T. Wolfinger, Yasuteru Shigeta, Thanyada Rungrotmongkol, and Ryuhei Harada A Structural Refinement Technique for Protein-RNA Complexes Based on a Combination of AI-based Modeling and Flexible Docking: A Study of Musashi-1 Protein Bull. Chem. Soc. Jpn. 2023, 96, 677–685, doi:10.1246/bcsj.20230092 |
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23-008 Malinee Promkatkaew, Pornthip Boonsri, Songwut Suramitr, Thitinun Karpkird, Peter Wolschann, Supa Hannongbua Stability improvement of UV-filter between methoxy cinnamic acid derivatives and cyclodextrins inclusion complexes based on DFT and TD-DFT investigations Journal of Molecular Graphics and Modelling 125 (2023) 108619, doi:10.1016/j.jmgm.2023.108619 |
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23-009 P. Pojtanadithee, K. Hengphasatporn, A. Suroengrit, S. Boonyasuppayakorn, P. Wilasluck, P. Deetanya, K. Wangkanont, I.P. Sukanadi, W. Chavasiri, P. Wolschann, Th. Langer, Y. Shigeta, Ph. Maitarad, K. Sanachai, Th. Rungrotmongkol Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 ECLpro through Structure-Based Virtual Screning and Experimental Approaches J Chem Inf Model 63, 5244-5258 (2023), doi:10.1021/acs.jcim.3c00663 |
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23-010 Siriluk Rattanabunyong, Khuanjarat Choengpanya, Chonticha Suwattanasophon, Duangnapa Kiriwan, Peter Wolschann, Thomanai Lamtha, Abdul Rajjak Shaikh, Jatuporn Rattanasrisomporn, and Kiattawee Choowongkomon Biochemical and structural comparisons of non-nucleoside reverse transcriptase inhibitors against feline immunodeficiency virus and human immunodeficiency virus J Vet Sci. 2023;24:e67, doi:10.4142/jvs.22326 |
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23-011 Aamir Aman, Saba Ali, Panupong Mahalapbutr, Kuakarun Krusong, Peter Wolschann and Thanyada Rungrotmongkol Enhancing solubility and stability of sorafenib through cyclodextrin-based inclusion complexation: in silico and in vitro studies RSC Adv., 2023, 13, 27244, doi:10.1039/d3ra03867j |