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ORCIDSergey A. Samsonov
Person information
- affiliation: University of Gdansk, Poland
- affiliation (former): TU Dresden, Structural Bioinformatics, Germany
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2020 – today
- 2024
[j17]Sebastian Anila, Sergey A. Samsonov
:
Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes. J. Chem. Inf. Model. 64(5): 1691-1703 (2024)- 2023
- [j16]Mateusz Marcisz, Sergey A. Samsonov:
Solvent Model Benchmark for Molecular Dynamics of Glycosaminoglycans. J. Chem. Inf. Model. 63(7): 2147-2157 (2023) - 2022
- [j15]Annemarie Danielsson, Malgorzata M. Kogut, Martyna Maszota-Zieleniak, Pradeep Chopra, Geert-Jan Boons, Sergey A. Samsonov:
Molecular dynamics-based descriptors of 3-O-Sulfated Heparan sulfate as contributors of protein binding specificity. Comput. Biol. Chem. 99: 107716 (2022) - [j14]Malgorzata M. Kogut, Annemarie Danielsson, Sylvie Ricard-Blum, Sergey A. Samsonov:
Impact of calcium ions on the structural and dynamic properties of heparin oligosaccharides by computational analysis. Comput. Biol. Chem. 99: 107727 (2022) - [j13]Mateusz Marcisz, Margrethe Gaardløs, Krzysztof K. Bojarski, Till Siebenmorgen, Martin Zacharias, Sergey A. Samsonov:
Explicit solvent repulsive scaling replica exchange molecular dynamics (RS-REMD) in molecular modeling of protein-glycosaminoglycan complexes. J. Comput. Chem. 43(24): 1633-1640 (2022) - 2021
- [j12]Martyna Maszota-Zieleniak, Mateusz Marcisz, Malgorzata M. Kogut, Till Siebenmorgen, Martin Zacharias, Sergey A. Samsonov:
Evaluation of replica exchange with repulsive scaling approach for docking glycosaminoglycans. J. Comput. Chem. 42(15): 1040-1053 (2021) - [j11]Krzysztof K. Bojarski, Sergey A. Samsonov:
Role of Oligosaccharide Chain Polarity in Protein-Glycosaminoglycan Interactions. J. Chem. Inf. Model. 61(1): 455-466 (2021) - [j10]Mateusz Marcisz, Martin Zacharias, Sergey A. Samsonov:
Modeling Protein-Glycosaminoglycan Complexes: Does the Size Matter? J. Chem. Inf. Model. 61(9): 4475-4485 (2021) - 2020
- [j9]Agnieszka S. Karczynska, Karolina Zieba, Urszula Uciechowska, Magdalena A. Mozolewska, Pawel Krupa, Emilia A. Lubecka, Agnieszka G. Lipska, Celina Sikorska, Sergey A. Samsonov, Adam K. Sieradzan, Artur Gieldon, Adam Liwo, Rafal Slusarz, Magdalena Slusarz, Jooyoung Lee, Keehyoung Joo, Cezary Czaplewski:
Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13. J. Chem. Inf. Model. 60(3): 1844-1864 (2020) - [j8]Krzysztof K. Bojarski, Agnieszka S. Karczynska, Sergey A. Samsonov:
Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study. J. Chem. Inf. Model. 60(4): 2247-2256 (2020)
2010 – 2019
- 2019
- [j7]Sergey A. Samsonov, Martin Zacharias, Isaure Chauvot de Beauchêne:
Modeling large protein-glycosaminoglycan complexes using a fragment-based approach. J. Comput. Chem. 40(14): 1429-1439 (2019) - 2018
- [j6]Gerd Anders, Ulrich Hassiepen, Stephan Theisgen, Stephan Heymann, Lionel Muller, Tania Panigada, Daniel Huster, Sergey A. Samsonov:
The Intrinsic Pepsin Resistance of Interleukin-8 Can Be Explained from a Combined Bioinformatical and Experimental Approach. IEEE ACM Trans. Comput. Biol. Bioinform. 15(1): 300-308 (2018) - 2015
- [j5]Joséphine Abi-Ghanem, Sergey A. Samsonov, M. Teresa Pisabarro:
Insights into the preferential order of strand exchange in the Cre/loxP recombinase system: impact of the DNA spacer flanking sequence and flexibility. J. Comput. Aided Mol. Des. 29(3): 271-282 (2015) - [j4]Sergey A. Samsonov, Leon Bichmann, M. Teresa Pisabarro:
Coarse-Grained Model of Glycosaminoglycans. J. Chem. Inf. Model. 55(1): 114-124 (2015) - 2014
- [j3]Sergey A. Samsonov, Jan-Philip Gehrcke, M. Teresa Pisabarro:
Flexibility and Explicit Solvent in Molecular-Dynamics-Based Docking of Protein-Glycosaminoglycan Systems. J. Chem. Inf. Model. 54(2): 582-592 (2014) - 2011
- [j2]Joan Teyra, Sergey A. Samsonov, Sven Schreiber, M. Teresa Pisabarro:
SCOWLP update: 3D classification of protein-protein, -peptide, -saccharide and -nucleic acid interactions, and structure-based binding inferences across folds. BMC Bioinform. 12: 398 (2011) - [j1]Sergey A. Samsonov, Joan Teyra, M. Teresa Pisabarro:
Docking glycosaminoglycans to proteins: analysis of solvent inclusion. J. Comput. Aided Mol. Des. 25(5): 477-489 (2011)
Coauthor Index
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