Dimerization energetics of the G-protein coupled bile acid receptor TGR5 from all-atom simulations.
Lucas WäschenbachChristoph G. W. GertzenVerena KeitelHolger GohlkePublished in: J. Comput. Chem. (2020)
Keyphrases
- high throughput
- mass spectrometry
- protein protein interactions
- mass spectrometry data
- molecular dynamics
- hiv protease
- drug discovery
- drug design
- protein structure
- protein interaction
- protein function
- signaling pathways
- molecular dynamics simulations
- simulation environment
- predicting protein
- protein sequences
- protein folding
- influenza virus
- machine learning
- multiple sequence alignment
- protein structure prediction
- sequence alignment
- amino acids