Sergey A Samsonov (Sergey Samsonov)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 44

Top Topics

Venous Thromboembolism

Hyaluronic Acid

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Molecules (Basel, Switzerland)

Molecular pharmaceutics

This page only lists publications with an associated author ORCID identifier.

Publications

Sebastian Anila, Sergey A Samsonov
Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes. Journal of chemical information and modeling (2024)
Sebastian Anila, Sergey A Samsonov
Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes. Journal of chemical information and modeling 64 (5) (2024)
Luiza de Carvalho Bertozo, Hugo Cesar Tadeu, Anila Sebastian, Martyna Maszota-Zieleniak, Sergey A Samsonov, Valdecir Farias Ximenes
Role for Carboxylic Acid Moiety in NSAIDs: Favoring the Binding at Site II of Bovine Serum Albumin. Molecular pharmaceutics 21 (5) (2024)
Sebastian Anila, Sergey A Samsonov
Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes. Journal of chemical information and modeling 64 (5) (2024)
Sebastian Anila, Sergey A Samsonov
Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes. Journal of chemical information and modeling 64 (5) (2024)
Sebastian Anila, Sergey A Samsonov
Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes. Journal of chemical information and modeling 64 (5) (2024)
Luiza de Carvalho Bertozo, Hugo Cesar Tadeu, Anila Sebastian, Martyna Maszota-Zieleniak, Sergey A Samsonov, Valdecir Farias Ximenes
Role for Carboxylic Acid Moiety in NSAIDs: Favoring the Binding at Site II of Bovine Serum Albumin. Molecular pharmaceutics (2024)
Urszula Uciechowska-Kaczmarzyk, Martin Frank, Sergey A Samsonov, Martyna Maszota-Zieleniak
Structural Insights into Endostatin-Heparan Sulfate Interactions Using Modeling Approaches. Molecules (Basel, Switzerland) 29 (17) (2024)
Luiza de Carvalho Bertozo, Hugo Cesar Tadeu, Anila Sebastian, Martyna Maszota-Zieleniak, Sergey A Samsonov, Valdecir Farias Ximenes
Role for Carboxylic Acid Moiety in NSAIDs: Favoring the Binding at Site II of Bovine Serum Albumin. Molecular pharmaceutics 21 (5) (2024)
Magdalena Mańkowska, Karol K Krzymiński, Dariusz Wyrzykowski, Beata Zadykowicz, Sergey A Samsonov
Why Do Ionic Surfactants Significantly Alter the Chemiluminogenic Properties of Acridinium Salt? Molecules (Basel, Switzerland) 29 (16) (2024)
Sebastian Anila, Sergey A Samsonov
Benchmarking Water Models in Molecular Dynamics of Protein-Glycosaminoglycan Complexes. Journal of chemical information and modeling 64 (5) (2024)
Mateusz Marcisz, Sebastian Anila, Margrethe Gaardløs, Martin Zacharias, Sergey A Samsonov
Studying specificity in protein-glycosaminoglycan recognition with umbrella sampling. Beilstein journal of organic chemistry 19 (2023)
Annemarie Danielsson, Sergey A Samsonov, Jozef Adam Liwo, Adam K Sieradzan
Extension of the SUGRES-1P Coarse-Grained Model of Polysaccharides to Heparin. Journal of chemical theory and computation (2023)
Marta Pągielska, Sergey A Samsonov
Molecular Dynamics-Based Comparative Analysis of Chondroitin and Dermatan Sulfates. Biomolecules 13 (2) (2023)
Agata Gitlin-Domagalska, Dawid Dębowski, Aleksandra Maciejewska, Sergey A Samsonov, Martyna Maszota-Zieleniak, Natalia Ptaszyńska, Anna Łęgowska, Krzysztof Rolka
Cyclic Peptidic Furin Inhibitors Developed by Combinatorial Chemistry. ACS medicinal chemistry letters 14 (4) (2023)
Marta Pągielska, Sergey A Samsonov
Molecular Dynamics-Based Comparative Analysis of Chondroitin and Dermatan Sulfates. Biomolecules 13 (2) (2023)
Marta Pągielska, Sergey A Samsonov
Molecular Dynamics-Based Comparative Analysis of Chondroitin and Dermatan Sulfates. Biomolecules 13 (2) (2023)
Mateusz Marcisz, Sergey A Samsonov
Solvent Model Benchmark for Molecular Dynamics of Glycosaminoglycans. Journal of chemical information and modeling (2023)
Serge Pérez, Olga Makshakova, Jesus Angulo, Emiliano Bedini, Antonella Bisio, Jose Luis de Paz, Elisa Fadda, Marco Guerrini, Michal Hricovini, Milos Hricovini, Frederique Lisacek, Pedro M Nieto, Kevin Pagel, Giulia Paiardi, Ralf P Richter, Sergey A Samsonov, Romain R Vivès, Dragana Nikitovic, Sylvie Ricard-Blum
Glycosaminoglycans: What Remains To Be Deciphered? JACS Au 3 (3) (2023)
Christian Schulze, Annemarie Danielsson, Jozef Adam Liwo, Daniel Huster, Sergey A Samsonov, Anja Penk
Ligand binding of interleukin-8: a comparison of glycosaminoglycans and acidic peptides. Physical chemistry chemical physics : PCCP (2023)
Marta Pągielska, Sergey A Samsonov
Molecular Dynamics-Based Comparative Analysis of Chondroitin and Dermatan Sulfates. Biomolecules 13 (2) (2023)
Mateusz Marcisz, Sebastian Anila, Margrethe Gaardløs, Martin Zacharias, Sergey A Samsonov
Studying specificity in protein-glycosaminoglycan recognition with umbrella sampling. Beilstein journal of organic chemistry 19 (2023)
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. Journal of computational chemistry 43 (24) (2022)
Martyna Maszota-Zieleniak, Ferenc Zsila, Sergey A Samsonov
Molecular Dynamics Approaches Dissect Molecular Mechanisms Underlying Methylene Blue-Glycosaminoglycan Interactions. Molecules (Basel, Switzerland) 27 (9) (2022)
Agnieszka G Lipska, Anna M Antoniak, Patryk Wesołowski, Alan Warszawski, Sergey A Samsonov, Adam K Sieradzan
Coarse-grained modeling of the calcium, sodium, magnesium and potassium cations interacting with proteins. Journal of molecular modeling 28 (7) (2022)
Eirini-Maria Giatagana, Aikaterini Berdiaki, Margrethe Gaardløs, Sergey A Samsonov, George N Tzanakakis, Dragana Nikitovic
Biglycan Interacts with Type I Insulin-like Receptor (IGF-IR) Signaling Pathway to Regulate Osteosarcoma Cell Growth and Response to Chemotherapy. Cancers 14 (5) (2022)
Mateusz Marcisz, Bertrand Huard, Agnieszka G Lipska, Sergey A Samsonov
Further analyses of APRIL/APRIL-receptor/glycosaminoglycan interactions by biochemical assays linked to computational studies. Glycobiology 31 (7) (2022)
Mateusz Marcisz, Martyna Maszota-Zieleniak, Bertrand Huard, Sergey A Samsonov
Advanced Molecular Dynamics Approaches to Model a Tertiary Complex APRIL/TACI with Long Glycosaminoglycans. Biomolecules 11 (9) (2021)
Jozef Adam Liwo, Cezary Czaplewski, Adam K Sieradzan, Agnieszka G Lipska, Sergey A Samsonov, Rajesh K Murarka
Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems. Biomolecules 11 (9) (2021)
Mateusz Marcisz, Martin Zacharias, Sergey A Samsonov
Modeling Protein-Glycosaminoglycan Complexes: Does the Size Matter? Journal of chemical information and modeling 61 (9) (2021)
Martyna Maszota-Zieleniak, Mateusz Marcisz, Małgorzata M Kogut, Till Siebenmorgen, Martin Zacharias, Sergey A Samsonov
Evaluation of replica exchange with repulsive scaling approach for docking glycosaminoglycans. Journal of computational chemistry 42 (15) (2021)
Ola Grabowska, Małgorzata M Kogut, Krzysztof Żamojć, Sergey A Samsonov, Joanna Makowska, Aleksandra Tesmar, Katarzyna Chmur, Dariusz Wyrzykowski, Lech Chmurzyński
Effect of Tetraphenylborate on Physicochemical Properties of Bovine Serum Albumin. Molecules (Basel, Switzerland) 26 (21) (2021)
Agnieszka S Karczyńska, Karolina Ziȩba, Urszula Uciechowska, Magdalena A Mozolewska, Pawel Krupa, Emilia A Lubecka, Agnieszka G Lipska, Celina Sikorska, Sergey A Samsonov, Adam K Sieradzan, Artur Giełdoń, Jozef Adam Liwo, Rafał Ślusarz, Magdalena Ślusarz, Jooyoung Lee, Keehyoung Joo, Cezary Czaplewski
Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13. Journal of chemical information and modeling 60 (3) (2020)
Elena Gorbikova, Sergey A Samsonov, Ruslan N Kalendar
Probing the Proton-Loading Site of Cytochrome C Oxidase Using Time-Resolved Fourier Transform Infrared Spectroscopy. Molecules (Basel, Switzerland) 25 (15) (2020)
Krzysztof K Bojarski, Agnieszka S Karczyńska, Sergey A Samsonov
Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study. Journal of chemical information and modeling 60 (4) (2020)
Krzysztof K Bojarski, Sergey A Samsonov
Role of Oligosaccharide Chain Polarity in Protein-Glycosaminoglycan Interactions. Journal of chemical information and modeling 61 (1) (2020)
Ferenc Zsila, Sergey A Samsonov, Martyna Maszota-Zieleniak
Mind Your Dye: The Amyloid Sensor Thioflavin T Interacts with Sulfated Glycosaminoglycans Used To Induce Cross-β-Sheet Motifs. The journal of physical chemistry. B 124 (51) (2020)
Björn Drobot, Moritz Schmidt, Yuji Mochizuki, Takaya Abe, Koji Okuwaki, Florian Brulfert, Sven Falke, Sergey A Samsonov, Yuto Komeiji, Christian Betzel, Thorsten Stumpf, Johannes Raff, Satoru Tsushima
Cm3+/Eu3+ induced structural, mechanistic and functional implications for calmodulin. Physical chemistry chemical physics : PCCP 21 (38) (2019)
Sergey A Samsonov, Martin Zacharias, Isaure Chauvot de Beauchene
Modeling large protein-glycosaminoglycan complexes using a fragment-based approach. Journal of computational chemistry 40 (14) (2019)
Krzysztof K Bojarski, Adam K Sieradzan, Sergey A Samsonov
Molecular dynamics insights into protein-glycosaminoglycan systems from microsecond-scale simulations. Biopolymers 110 (7) (2019)
Jan Potthoff, Krzysztof K Bojarski, Gergely Kohut, Agnieszka G Lipska, Adam Liwo, Efrat Kessler, Sylvie Ricard-Blum, Sergey A Samsonov
Analysis of Procollagen C-Proteinase Enhancer-1/Glycosaminoglycan Binding Sites and of the Potential Role of Calcium Ions in the Interaction. International journal of molecular sciences 20 (20) (2019)
Sergey A Samsonov, Emilia A Lubecka, Krzysztof K Bojarski, Robert Ganzynkowicz, Adam Liwo
Local and long range potentials for heparin-protein systems for coarse-grained simulations. Biopolymers 110 (8) (2019)
Gergely Kohut, Jozef Adam Liwo, Szilvia Erika Bősze, Tamás Beke-Somfai, Sergey A Samsonov
Protein-Ligand Interaction Energy-Based Entropy Calculations: Fundamental Challenges For Flexible Systems. The journal of physical chemistry. B 122 (32) (2018)
Karoline Nordsieck, Lars Baumann, Vera Hintze, M Teresa Pisabarro, Matthias Schnabelrauch, Annette G Beck-Sickinger, Sergey A Samsonov
The effect of interleukin-8 truncations on its interactions with glycosaminoglycans. Biopolymers 109 (10) (2018)