Protein-glycosaminoglycan interactions: computational approaches

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Within the project "Computational analysis of protein-glycosaminoglycan interactions" we model protein-glycosaminoglycan (GAG) interactions using such computational techniques as molecular docking, molecular dynamics (MD), quantum chemistry (QM). Our goal is to contribute to the general understanding of protein-GAG molecular recognition and conformational properties GAG molecules, to develop appropriate computational strategies to treat these systems more effectively, to assist and complement the experimental data providing atomic details basis for molecular mechanisms underlying protein-GAG interactions. The data obtained in this project will be useful for theoretical rationale in the further development of novel approaches for tissue regeneration.

Acknowledgment

We would like to acknowledge POLONEZ project (2016/21/P/ST4/03995) from the National Science Center (Poland).

New research project!

Our research will be continued and extended within the National Science Centre Programme SONATA BIS

Invited talk 19.04.2019

International Sakharov Environmental Institute, Minsk, Belarus. Sergey Samsonov.

This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 665778.