Solvent Model Benchmark for Molecular Dynamics of Glycosaminoglycans

por Marcisz, Mateusz, Samsonov, Sergey A.
Publicado 2023

Molecular Dynamics-Based Comparative Analysis of Chondroitin and Dermatan Sulfates

por Pągielska, Marta, Samsonov, Sergey A.
Publicado 2023

Probing the Proton-Loading Site of Cytochrome C Oxidase Using Time-Resolved Fourier Transform Infrared Spectroscopy

por Gorbikova, Elena, Samsonov, Sergey A., Kalendar, Ruslan
Publicado 2020

Modeling Protein–Glycosaminoglycan Complexes: Does the Size Matter?

por Marcisz, Mateusz, Zacharias, Martin, Samsonov, Sergey A.
Publicado 2021

Docking glycosaminoglycans to proteins: analysis of solvent inclusion

por Samsonov, Sergey A., Teyra, Joan, Pisabarro, M. Teresa
Publicado 2011

Computational drill down on FGF1-heparin interactions through methodological evaluation

por Babik, Sándor, Samsonov, Sergey A., Pisabarro, M. Teresa
Publicado 2016

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

por Bojarski, Krzysztof K., Karczyńska, Agnieszka S., Samsonov, Sergey A.
Publicado 2020

The potential role of glycosaminoglycans in serum amyloid A fibril formation by in silico approaches

por Maszota-Zieleniak, Martyna, Danielsson, Annemarie, Samsonov, Sergey A.
Publicado 2021

Molecular Dynamics Approaches Dissect Molecular Mechanisms Underlying Methylene Blue–Glycosaminoglycan Interactions

por Maszota-Zieleniak, Martyna, Zsila, Ferenc, Samsonov, Sergey A.
Publicado 2022

Extension of the SUGRES-1P Coarse-Grained Model of Polysaccharides to Heparin

por Danielsson, Annemarie, Samsonov, Sergey A., Liwo, Adam, Sieradzan, Adam K.
Publicado 2023

Analysis of the impact of solvent on contacts prediction in proteins

por Samsonov, Sergey A, Teyra, Joan, Anders, Gerd, Pisabarro, M Teresa
Publicado 2009

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

por Teyra, Joan, Samsonov, Sergey A, Schreiber, Sven, Pisabarro, M Teresa
Publicado 2011

Advanced Molecular Dynamics Approaches to Model a Tertiary Complex APRIL/TACI with Long Glycosaminoglycans

por Marcisz, Mateusz, Maszota-Zieleniak, Martyna, Huard, Bertrand, Samsonov, Sergey A.
Publicado 2021

Multipose Binding in Molecular Docking

por Atkovska, Kalina, Samsonov, Sergey A., Paszkowski-Rogacz, Maciej, Pisabarro, M. Teresa
Publicado 2014

Glycosaminoglycan Monosaccharide Blocks Analysis by Quantum Mechanics, Molecular Dynamics, and Nuclear Magnetic Resonance

por Samsonov, Sergey A., Theisgen, Stephan, Riemer, Thomas, Huster, Daniel, Pisabarro, M. Teresa
Publicado 2014

Biglycan Interacts with Type I Insulin-like Receptor (IGF-IR) Signaling Pathway to Regulate Osteosarcoma Cell Growth and Response to Chemotherapy

por Giatagana, Eirini-Maria, Berdiaki, Aikaterini, Gaardløs, Margrethe, Samsonov, Sergey A., Tzanakakis, George N., Nikitovic, Dragana
Publicado 2022

Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems

por Liwo, Adam, Czaplewski, Cezary, Sieradzan, Adam K., Lipska, Agnieszka G., Samsonov, Sergey A., Murarka, Rajesh K.
Publicado 2021

Case of Early-Onset Parkinson’s Disease in a Heterozygous Mutation Carrier of the ATP7B Gene

por Ilyechova, Ekaterina Y., Miliukhina, Irina V., Karpenko, Marina N., Orlov, Iurii A., Puchkova, Ludmila V., Samsonov, Sergey A.
Publicado 2019

Insights into the structure and dynamics of lysyl oxidase propeptide, a flexible protein with numerous partners

por Vallet, Sylvain D., Miele, Adriana E., Uciechowska-Kaczmarzyk, Urszula, Liwo, Adam, Duclos, Bertrand, Samsonov, Sergey A., Ricard-Blum, Sylvie
Publicado 2018

Analysis of Procollagen C-Proteinase Enhancer-1/Glycosaminoglycan Binding Sites and of the Potential Role of Calcium Ions in the Interaction

por Potthoff, Jan, Bojarski, Krzysztof K., Kohut, Gergely, Lipska, Agnieszka G., Liwo, Adam, Kessler, Efrat, Ricard-Blum, Sylvie, Samsonov, Sergey A.
Publicado 2019