Sergey A. Samsonov

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 14

Top Topics

Protein Structure

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Comput. Biol. Chem.

IEEE ACM Trans. Comput. Biol. Bioinform.

Publications

Sebastian Anila, Sergey A. Samsonov
Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes. J. Chem. Inf. Model. 64 (5) (2024)
Mateusz Marcisz, Sergey A. Samsonov
Solvent Model Benchmark for Molecular Dynamics of Glycosaminoglycans. J. Chem. Inf. Model. 63 (7) (2023)
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 (2022)
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) (2022)
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 (2022)
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) (2021)
Mateusz Marcisz, Martin Zacharias, Sergey A. Samsonov
Modeling Protein-Glycosaminoglycan Complexes: Does the Size Matter? J. Chem. Inf. Model. 61 (9) (2021)
Krzysztof K. Bojarski, Sergey A. Samsonov
Role of Oligosaccharide Chain Polarity in Protein-Glycosaminoglycan Interactions. J. Chem. Inf. Model. 61 (1) (2021)
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) (2020)
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) (2020)
Sergey A. Samsonov, Martin Zacharias, Isaure Chauvot de Beauchêne
Modeling large protein-glycosaminoglycan complexes using a fragment-based approach. J. Comput. Chem. 40 (14) (2019)
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) (2018)
Sergey A. Samsonov, Leon Bichmann, M. Teresa Pisabarro
Coarse-Grained Model of Glycosaminoglycans. J. Chem. Inf. Model. 55 (1) (2015)
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) (2015)
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) (2014)
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 (2011)
Sergey A. Samsonov, Joan Teyra, M. Teresa Pisabarro
Docking glycosaminoglycans to proteins: analysis of solvent inclusion. J. Comput. Aided Mol. Des. 25 (5) (2011)