Sergey A. Samsonov

According to our database, Sergey A. Samsonov authored at least 17 papers between 2011 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes.

Sebastian Anila, Sergey A. Samsonov

J. Chem. Inf. Model., March, 2024

2023

Solvent Model Benchmark for Molecular Dynamics of Glycosaminoglycans.

Mateusz Marcisz, Sergey A. Samsonov

J. Chem. Inf. Model., April, 2023

2022

Explicit solvent repulsive scaling replica exchange molecular dynamics (RS-REMD) in molecular modeling of protein-glycosaminoglycan complexes.

Mateusz Marcisz, Margrethe Gaardløs, Krzysztof K. Bojarski, Till Siebenmorgen, Martin Zacharias, Sergey A. Samsonov

J. Comput. Chem., 2022

Impact of calcium ions on the structural and dynamic properties of heparin oligosaccharides by computational analysis.

Malgorzata M. Kogut, Annemarie Danielsson, Sylvie Ricard-Blum, Sergey A. Samsonov

Comput. Biol. Chem., 2022

Molecular dynamics-based descriptors of 3-O-Sulfated Heparan sulfate as contributors of protein binding specificity.

Annemarie Danielsson, Malgorzata M. Kogut, Martyna Maszota-Zieleniak, Pradeep Chopra, Geert-Jan Boons, Sergey A. Samsonov

Comput. Biol. Chem., 2022

2021

Modeling Protein-Glycosaminoglycan Complexes: Does the Size Matter?

Mateusz Marcisz, Martin Zacharias, Sergey A. Samsonov

J. Chem. Inf. Model., 2021

Role of Oligosaccharide Chain Polarity in Protein-Glycosaminoglycan Interactions.

Krzysztof K. Bojarski, Sergey A. Samsonov

J. Chem. Inf. Model., 2021

Evaluation of replica exchange with repulsive scaling approach for docking glycosaminoglycans.

Martyna Maszota-Zieleniak, Mateusz Marcisz, Malgorzata M. Kogut, Till Siebenmorgen, Martin Zacharias, Sergey A. Samsonov

J. Comput. Chem., 2021

2020

Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13.

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

J. Chem. Inf. Model., 2020

Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study.

Krzysztof K. Bojarski, Agnieszka S. Karczynska, Sergey A. Samsonov

J. Chem. Inf. Model., 2020

2019

Modeling large protein-glycosaminoglycan complexes using a fragment-based approach.

Sergey A. Samsonov, Martin Zacharias, Isaure Chauvot de Beauchêne

J. Comput. Chem., 2019

2018

The Intrinsic Pepsin Resistance of Interleukin-8 Can Be Explained from a Combined Bioinformatical and Experimental Approach.

Gerd Anders, Ulrich Hassiepen, Stephan Theisgen, Stephan Heymann, Lionel Muller, Tania Panigada, Daniel Huster, Sergey A. Samsonov

IEEE ACM Trans. Comput. Biol. Bioinform., 2018

2015

Coarse-Grained Model of Glycosaminoglycans.

Sergey A. Samsonov, Leon Bichmann, M. Teresa Pisabarro

J. Chem. Inf. Model., 2015

Insights into the preferential order of strand exchange in the Cre/loxP recombinase system: impact of the DNA spacer flanking sequence and flexibility.

Joséphine Abi-Ghanem, Sergey A. Samsonov, M. Teresa Pisabarro

J. Comput. Aided Mol. Des., 2015

2014

Flexibility and Explicit Solvent in Molecular-Dynamics-Based Docking of Protein-Glycosaminoglycan Systems.

Sergey A. Samsonov, Jan-Philip Gehrcke, M. Teresa Pisabarro

J. Chem. Inf. Model., 2014

2011

Docking glycosaminoglycans to proteins: analysis of solvent inclusion.

Sergey A. Samsonov, Joan Teyra, M. Teresa Pisabarro

J. Comput. Aided Mol. Des., 2011

SCOWLP update: 3D classification of protein-protein, -peptide, -saccharide and -nucleic acid interactions, and structure-based binding inferences across folds.

Joan Teyra, Sergey A. Samsonov, Sven Schreiber, M. Teresa Pisabarro

BMC Bioinform., 2011