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Publications

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2021
Synthetic Transition from Thiourea-Based Compounds to Tetrazole Derivatives: Structure and Biological Evaluation of Synthesized New N-(Furan-2-ylmethyl)-1H-tetrazol-5-amine DerivativesSzulczyk, D. et al.Molecules 26, , 2021.
2018
Combining Structural Aggregation Propensity and Stability Predictions To Redesign Protein SolubilityGil-Garcia, M. et al.Molecular Pharmaceutics 15, 3846-3859, 2018.
Design and synthesis of novel 1H-tetrazol-5-amine based potent antimicrobial agents: DNA topoisomerase IV and gyrase affinity evaluation supported by molecular docking studiesSzulczyk, D. et al.European Journal of Medicinal Chemistry 156, 631 - 640, 2018.
Synthesis, structural and antimicrobial studies of type II topoisomerase-targeted copper(II) complexes of 1,3-disubstituted thiourea ligandsBielenica, A. et al.Journal of Inorganic Biochemistry 182, 61 - 70, 2018.
2016
5-HT2 receptor affinity, docking studies and pharmacological evaluation of a series of 1,3-disubstituted thiourea derivativesBielenica, A. et al.European Journal of Medicinal Chemistry 116, 173–186, 2016.
Protein secondary structure prediction using a small training set (compact model) combined with a Complex-valued neural network approachRashid, S., Saraswathi, S., Kloczkowski, A., Sundaram, S. & Koliński, A.BMC Bioinformatics 17, , 2016.
2015
KnotProt: a database of proteins with knots and slipknotsJamroz, M. et al.Nucleic Acids Research 43, D306-D314, 2015.
2013
Identifying knots in proteins.Millett, K.C., Rawdon, E.J., Stasiak, A. & Sulkowska, J.I.Biochemical Society Transactions 41, 533-7, 2013.
Knot localization in proteins.Rawdon, E.J., Millett, K.C., Sulkowska, J.I. & Stasiak, A.Biochemical Society Transactions 41, 538-41, 2013.
Knotting pathways in proteins.Sulkowska, J.I. et al.Biochemical Society Transactions 41, 523-7, 2013.
Knotting pathways in proteins.Sulkowska, J.I. et al.Biochemical Society Transactions 41, 523-7, 2013.
2012
Conservation of complex knotting and slipknotting patterns in proteins.Sulkowska, J.I., Rawdon, E.J., Millett, K.C., Onuchic, J.N. & Stasiak, A.Proceedings of the National Academy of Sciences of the United States of America 109, E1715-23, 2012.
2011
Analysis and optimization of interactions between peptides mimicking the GD2 ganglioside and the monoclonal antibody 14G2aHorwacik, I. et al.International Journal of Molecular Medicine 28, 47–57, 2011.
2010
Mechanical unfolding of acylphosphatase studied by single-molecule force spectroscopy and MD simulationsArad-Haase, G. et al.Biophys J 99, 238-47, 2010.
TRACER. A new approach to comparative modeling that combines threading with free-space conformational samplingTrojanowski, S., Rutkowska, A. & Koliński, A.Acta Biochimica Polonica 57, 125–33, 2010.
2009
On the remarkable mechanostability of scaffoldins and the mechanical clamp motif.Valbuena, A. et al.Proceedings of the National Academy of Sciences of the United States of America 106, 13791-6, 2009.
Structural changes of vitamin D receptor induced by 20-epi-1alpha,25-(OH)2D3: an insight from a computational analysisSicinska, W. & Rotkiewicz, P.The Journal of Steroid Biochemistry and Molecular Biology 113, 253-8, 2009.
2008
Uncharacterized DUF1574 leptospira proteins are SGNH hydrolasesKnizewski, L. et al.Cell Cycle (Georgetown, Tex.) 7, 542–4, 2008.
2007
Computational analysis of the active sites in binary and ternary complexes of the vitamin D receptorSicinska, W. & Rotkiewicz, P.The Journal of Steroid Biochemistry and Molecular Biology 103, 305-9, 2007.
Why do proteins divide into domains? Insights from lattice model simulationsRutkowska, A. & Koliński, A.Biomacromolecules 8, 3519–24, 2007.
2006
Denatured proteins and early folding intermediates simulated in a reduced conformational spaceKmiecik, S., Kurcinski, M., Rutkowska, A., Gront, D. & Koliński, A.Acta Biochimica Polonica 53, 131–143, 2006.
Three dimensional model of severe acute respiratory syndrome coronavirus helicase ATPase catalytic domain and molecular design of severe acute respiratory syndrome coronavirus helicase inhibitorsHoffmann, M. et al.Journal of Computer-Aided Molecular Design 20, 305–319, 2006.
2005
DNA vaccine expressing the mimotope of GD2 ganglioside induces protective GD2 cross-reactive antibody responsesBolesta, E. et al.Cancer Research 65, 3410–8, 2005.
DNA vaccine expressing the mimotope of GD2 ganglioside induces protective GD2 cross-reactive antibody responsesBolesta, E. et al.Cancer Research 65, 3410–8, 2005.
2004
Model of three-dimensional structure of VDR bound with Vitamin D3 analogs substituted at carbon-2Sicinska, W., Rotkiewicz, P. & DeLuca, H.F.The Journal of Steroid Biochemistry and Molecular Biology 89-90, 107-10, 2004.

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