Sergey A. Samsonov

17 papers Journal 17
YearRankTypeTitle / Venue / Authors
2024 J jnl
Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes.
J. Chem. Inf. Model.
Sebastian Anila, Sergey A. Samsonov
2023 J jnl
Solvent Model Benchmark for Molecular Dynamics of Glycosaminoglycans.
J. Chem. Inf. Model.
Mateusz Marcisz, Sergey A. Samsonov
2022 J jnl
Explicit solvent repulsive scaling replica exchange molecular dynamics (RS-REMD) in molecular modeling of protein-glycosaminoglycan complexes.
J. Comput. Chem.
Mateusz Marcisz, Margrethe Gaardløs, Krzysztof K. Bojarski, Till Siebenmorgen, Martin Zacharias, Sergey A. Samsonov
2022 J jnl
Impact of calcium ions on the structural and dynamic properties of heparin oligosaccharides by computational analysis.
Comput. Biol. Chem.
Malgorzata M. Kogut, Annemarie Danielsson, Sylvie Ricard-Blum, Sergey A. Samsonov
2022 J jnl
Molecular dynamics-based descriptors of 3-O-Sulfated Heparan sulfate as contributors of protein binding specificity.
Comput. Biol. Chem.
Annemarie Danielsson, Malgorzata M. Kogut, Martyna Maszota-Zieleniak, Pradeep Chopra, Geert-Jan Boons, Sergey A. Samsonov
2021 J jnl
Evaluation of replica exchange with repulsive scaling approach for docking glycosaminoglycans.
J. Comput. Chem.
Martyna Maszota-Zieleniak, Mateusz Marcisz, Malgorzata M. Kogut, Till Siebenmorgen, Martin Zacharias, Sergey A. Samsonov
2021 J jnl
Modeling Protein-Glycosaminoglycan Complexes: Does the Size Matter?
J. Chem. Inf. Model.
Mateusz Marcisz, Martin Zacharias, Sergey A. Samsonov
2021 J jnl
Role of Oligosaccharide Chain Polarity in Protein-Glycosaminoglycan Interactions.
J. Chem. Inf. Model.
Krzysztof K. Bojarski, Sergey A. Samsonov
2020 J jnl
Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13.
J. Chem. Inf. Model.
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
2020 J jnl
Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study.
J. Chem. Inf. Model.
Krzysztof K. Bojarski, Agnieszka S. Karczynska, Sergey A. Samsonov
2019 J jnl
Modeling large protein-glycosaminoglycan complexes using a fragment-based approach.
J. Comput. Chem.
Sergey A. Samsonov, Martin Zacharias, Isaure Chauvot de Beauchêne
2018 J jnl
The Intrinsic Pepsin Resistance of Interleukin-8 Can Be Explained from a Combined Bioinformatical and Experimental Approach.
IEEE ACM Trans. Comput. Biol. Bioinform.
Gerd Anders, Ulrich Hassiepen, Stephan Theisgen, Stephan Heymann, Lionel Muller, Tania Panigada, Daniel Huster, Sergey A. Samsonov
2015 J jnl
Coarse-Grained Model of Glycosaminoglycans.
J. Chem. Inf. Model.
Sergey A. Samsonov, Leon Bichmann, M. Teresa Pisabarro
2015 J jnl
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.
Joséphine Abi-Ghanem, Sergey A. Samsonov, M. Teresa Pisabarro
2014 J jnl
Flexibility and Explicit Solvent in Molecular-Dynamics-Based Docking of Protein-Glycosaminoglycan Systems.
J. Chem. Inf. Model.
Sergey A. Samsonov, Jan-Philip Gehrcke, M. Teresa Pisabarro
2011 J jnl
Docking glycosaminoglycans to proteins: analysis of solvent inclusion.
J. Comput. Aided Mol. Des.
Sergey A. Samsonov, Joan Teyra, M. Teresa Pisabarro
2011 J jnl
SCOWLP update: 3D classification of protein-protein, -peptide, -saccharide and -nucleic acid interactions, and structure-based binding inferences across folds.
BMC Bioinform.
Joan Teyra, Sergey A. Samsonov, Sven Schreiber, M. Teresa Pisabarro