Laboratory of Structural Bioinformatics

The amount of available biological data, originating from various experimental procedures (genome and transcriptome sequencing, structure determination, functional assays), is vast. In our group, we employ computational techniques, such as machine learning, molecular dynamics simulations, and sequence analysis to make use of this data. We are particularly interested in understanding how protein folds have emerged and how protein structures and functions are encoded by the alphabet of 20 amino acids.

For the description of the current projects see our web page 

Stanisław Dunin-Horkawicz, PhD
email: s.dunin-horkawicz@cent.uw.edu.pl
phone: +48 22 55 43767
room: 02.111

Education and degrees:

2011; Ph.D. in Biology, Faculty of Biology, University of Tübingen, Germany

2007; M.Sc. in Biology, Faculty of Biology, University of Warsaw, Poland

 

Positions:

since 2018; Group leader in the Centre of New Technologies, University of Warsaw, Poland

2016 – 2018; Project leader in the Centre of New Technologies, University of Warsaw, Poland

2011 – 2016; Postdoc in the Laboratory of Bioinformatics and Protein Engineering, International Institute of Molecular and Cell Biology, Warsaw, Poland

2010 – 2011; Postdoc in the Department of Protein Evolution, Max Planck Institute for Developmental Biology, Tübingen, Germany

2007 – 2010; Ph.D. student in the Department of Protein Evolution, Max Planck Institute for Developmental Biology, Tübingen, Germany

 

Research grants and fellowships:

2019 – 2022; Foundation of Polish Science, First Team research grant

2016 – 2019; Polish National Science Centre, SONATA BIS research grant

2013 – 2015; Polish Ministry of Science and Higher Education, Fellowship for outstanding young scientists

2014; German Academic Exchange Service (DAAD), Short–term research grant

2012 – 2015; Polish National Science Centre, SONATA research grant

2012 – 2013; Foundation of Polish Science, START fellowship

2011 – 2013; Polish Ministry of Science and Higher Education, Iuventus Plus research grant

 

Selected publications:

Szczepaniak K, Ludwiczak J, Winski A, Dunin-Horkawicz S. Variability of the core geometry in parallel coiled-coil bundles. J Struct Biol. 2018 Oct;204(1):117-124.

 

Ludwiczak J, Jarmula A, Dunin–Horkawicz S. Combining Rosetta with molecular dynamics (MD): A benchmark of the MD–based ensemble protein design. J Struct Biol. 2018 Jul;203(1):54–61.

 

Lupas AN, Bassler J, Dunin–Horkawicz S. The Structure and Topology of α–Helical Coiled Coils. Subcell Biochem. 2017;82:95–129.

 

Matelska D, Kurkowska M, Purta E, Bujnicki JM, Dunin–Horkawicz S.  Loss of Conserved Noncoding RNAs in Genomes of Bacterial Endosymbionts. Genome Biol Evol. 2016 Jan 18;8(2):426–38.

 

Bocian-Ostrzycka KM, Łasica AM, Dunin-Horkawicz S, Grzeszczuk MJ, Drabik K, Dobosz AM, Godlewska R, Nowak E, Collet JF, Jagusztyn-Krynicka EK. Functional and evolutionary analyses of Helicobacter pylori HP0231 (DsbK) protein with strong oxidative and chaperone activity characterized by a highly diverged dimerization  domain. Front Microbiol. 2015 Oct 8;6:1065.

 

Blatter M, Dunin–Horkawicz S, Grishina I, Maris C, Thore S, Maier T, Bindereif A, Bujnicki JM, Allain FH. The Signature of the Five–Stranded vRRM Fold Defined by Functional, Structural and Computational Analysis of the hnRNP L Protein. J Mol Biol. 2015 Sep 25;427(19):3001–22.

 

Dunin–Horkawicz S, Kopec KO, Lupas AN. Prokaryotic ancestry of eukaryotic protein networks mediating innate immunity and apoptosis. J Mol Biol. 2014 Apr 3;426(7):1568–82.

 

Matelska D, Purta E, Panek S, Boniecki MJ, Bujnicki JM, Dunin–Horkawicz S. S6:S18 ribosomal protein complex interacts with a structural motif present in its own mRNA. RNA. 2013 Oct;19(10):1341–8.

 

Hartmann MD, Grin I, Dunin–Horkawicz S, Deiss S, Linke D, Lupas AN, Hernandez Alvarez B. Complete fiber structures of complex trimeric autotransporter adhesins conserved in enterobacteria. Proc Natl Acad Sci U S A. 2012 Dec 18;109(51):20907–12.

 

Ferris HU, Dunin–Horkawicz S, Mondéjar LG, Hulko M, Hantke K, Martin J, Schultz JE, Zeth K, Lupas AN, Coles M. The mechanisms of HAMP–mediated signaling in transmembrane receptors. Structure. 2011 Mar 9;19(3):378–85.

 

Dunin–Horkawicz S, Lupas AN. Measuring the conformational space of square four–helical bundles with the program samCC. J Struct Biol. 2010 May;170(2):226–35.

 

Dunin–Horkawicz S, Lupas AN. Comprehensive analysis of HAMP domains: Implications for transmembrane signal transduction J Mol Biol. 2010 Apr 16;397(5):1156–74.

 

Dunin–Horkawicz S, Feder M, Bujnicki JM. Phylogenomic analysis of the GIY–YIG nuclease superfamily. BMC Genomics. 2006 Apr 28;7:98.

 

Dunin–Horkawicz S, Czerwoniec A, Gajda MJ, Feder M, Grosjean H, Bujnicki JM. MODOMICS: a database of RNA modification pathways. Nucleic Acids Res. 2006 Jan 1;34(Database issue):D145–9.


Slipknotted and unknotted monovalent cation-proton antiporters evolved from a common ancestor.
Vasilina Zayats, Agata P. Perlińska, Aleksandra I. Jarmolińska, Borys Jastrzębski, Stanisław Dunin-Horkawicz, Joanna I. Sułkowska
PLoS Computational Biology, 17(10), e1009502.
Rossmann-toolbox: a deep learning-based protocol for the prediction and design of cofactor specificity in Rossmann-fold proteins
Kamil Kamiński, Jan Ludwiczak, Maciej Jasiński, Adriana Bukala, Rafał Madaj, Krzysztof Szczepaniak, Stanisław Dunin-Horkawicz
Briefings in Bioinformatics, Volume 23, Issue 1, January 2022, bbab371,
Revealing biophysical properties of KfrA-type proteins as a novel class of cytoskeletal, coiled-coil plasmid-encoded proteins
M. Adamczyk, E. Lewicka, R. Szatkowska, H. Nieznanska, J. Ludwiczak, M. Jasiński, S. Dunin-Horkawicz, E. Sitkiewicz, B. Swiderska, G. Goch, G. Jagura-Burdzy
BMC Microbiology volume 21, Article number: 32 (2021)
Self-analysis of repeat proteins reveals evolutionarily conserved patterns
Merski, M., Młynarczyk, K., Ludwiczak, J., Skrzeczkowski, J., Dunin-Horkawicz, S., & Górna, M. W.
BMC bioinformatics, 21, 1-17
C8J_1298, a bifunctional thiol oxidoreductase of Campylobacter jejuni, affects Dsb (disulfide bond) network functioning
Banaś, A. M., Bocian-Ostrzycka, K. M., Plichta, M., Dunin-Horkawicz, S., Ludwiczak, J., Płaczkiewicz, J., & Jagusztyn-Krynicka, E. K.
PloS one, 15(3), e0230366
A library of coiled-coil domains: from regular bundles to peculiar twists
Szczepaniak, K., Bukala, A., da Silva Neto, A. M., Ludwiczak, J., & Dunin-Horkawicz, S.
Bioinformatics
RRMdb-an evolutionary-oriented database of RNA recognition motif sequences
Nowacka, M., Boccaletto, P., Jankowska, E., Jarzynka, T., Bujnicki, J. M., & Dunin-Horkawicz, S. (2019).
Database, 2019
DeepCoil – a fast and accurate prediction of coiled-coil domains in protein sequences
Ludwiczak, J., Winski, A., Szczepaniak, K., Alva, V., & Dunin-Horkawicz, S. (2019).
Bioinformatics
PiPred – a deep-learning method for prediction of pi-helices in protein sequences
Ludwiczak, J., Winski, A., Neto, A. M., Szczepaniak, K., Alva, V., & Dunin-Horkawicz, S.
Scientific Reports, 9(1)
ANO5 Mutations in the Polish Limb Girdle Muscular Dystrophy Patients: Effects on the Protein Structure
Jarmula, A., Łusakowska, A., Fichna, J. P., Topolewska, M., Macias, A., Johnson, K., ... & Dunin-Horkawicz, S.
Scientific reports, 9(1), 1-17.
Interactions between motor domains in kinesin-14 Ncd – a molecular dynamics study
Ludwiczak, J., Szczęsna, E., da Silva Neto, A. M., Cieplak, P., Kasprzak, A. A., & Jarmuła, A.
Biochemical Journal, 476(17), 2449-2462.
Impact of selected amino acids of HP0377 (Helicobacter pylori thiol oxidoreductase) on its functioning as a CcmG (cytochrome c maturation) protein and Dsb (disulfide bond) isomerase
Grzeszczuk, M. J., Bąk, A., Banaś, A. M., Urbanowicz, P., Dunin-Horkawicz, S., Gieldon, A., . . . & Jagusztyn-Krynicka, E. K.
PLOS ONE, 13(4), e0195358
Combining Rosetta with molecular dynamics (MD): A benchmark of the MD-based ensemble protein design
Ludwiczak, J., Jarmula, A., & Dunin-Horkawicz, S.
Journal of Structural Biology, 203(1), 54-61.
Variability of the core geometry in parallel coiled-coil bundles
Szczepaniak, K., Ludwiczak, J., Winski, A., & Dunin-Horkawicz, S.
Journal of Structural Biology, 204(1), 117-124.
The Structure and Topology of α-Helical Coiled Coils
Lupas, A. N., Bassler, J., & Dunin-Horkawicz, S. (2017).
Fibrous Proteins: Structures and Mechanisms (pp. 95-129). Springer, Cham.

To see the list of group’s publications, please visit the following link.