We develop and apply multi-scale molecular and integrative modeling methods to study complex molecular systems, along with bioinformatics and biomedical informatics techniques. Our research focuses on:
- investigating the structure, dynamics, and signaling of GPCRs,
- multi-scale modeling of protofilament and amyloid fibril self-assembly,
- identifying enzymatic cleavage sites in peptide and protein substrates,
- predicting protein structures and studying protein-protein interactions,
- molecular modeling of biological membranes,
- using molecular docking for drug design and discovery,
- analyzing the spatial structures of biopolymers and applying deep learning techniques in structural biology.
Grants:
- 2022-2024: 2021/43/B/NZ2/02082 “Multi-scale method for amyloid fibril assembly using protofilament structures predicted by coarse-grained docking simulations”,
- 2012-2017: 2011/03/D/NZ2/02004 “Analysis of similarity of biopolymer structures using descriptors of local structure”,
- 2014-2016: IP2012016372 “Study of signaling of GPCRs using multi-scale molecular dynamics simulations”,
- 2012-2016: 2011/01/D/NZ2/05314 “Development of a method for the structure prediction of GPCRs complexes with agonists and antagonists, including the ligand-induced alternations of the receptor structure”.
