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dr Krzysztof Bojarski
Employment
- Assistant professor at Department of Physical Chemistry
- 2022 - present at Chemistry
- 2019 - 2021 Principal Investigator at Chemistry
Keywords Help
- molecular dynamics
- alphafold, blind prediction, capri, casp, deep learning, protein assemblies, protein complexes, protein-protein interaction
- colloidal stability
- hyperbranched polyglycerol
- molecular docking
- molecular modeling
- nanodiamonds
- optical sensing
- procathepsin processing
- protein-ligand interactions
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RS-REMD Protein-GAG Interaction Dataset in CHARMM36m
Open Research DataThe dataset includes input files, simulation parameters, and analysis scripts used in Repulsive Scaling Replica Exchange Molecular Dynamics (RS-REMD) simulations to study protein–glycosaminoglycan (GAG) interactions. In this study, the RS-REMD method was applied for molecular docking of GAGs and carbohydrates to selected protein targets. Molecular Mechanics...
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