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)

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)