Molecular dynamics of the immune checkpoint Programmed Cell Death Protein I, PD-1: Conformational changes of the BC-loop upon binding of the ligand PD-L1 and the monoclonal antibody nivolumab.
Bernhard RoitherChris OostenbrinkWolfgang SchreinerPublished in: BIBM (2019)
Keyphrases
- molecular dynamics
- immune response
- protein folding
- immune cells
- molecular dynamics simulations
- high performance computing
- scientific data
- immune memory
- hiv protease
- amino acids
- secondary structure
- artificial immune system
- protein structure prediction
- coarse grained
- fault tolerance
- clonal selection
- drug design
- data streams
- high throughput
- load balancing
- fine grained
- sensor networks