Molecular simulations of peptides and proteins with Molecular Fragment Dynamics (MFD).
Andreas TruszkowskiAnnamaria FiethenHubert KuhnAchim ZielesnyMatthias EpplePublished in: J. Cheminformatics (2013)
Keyphrases
- hiv protease
- mass spectrometry
- living cells
- molecular dynamics
- molecular dynamics simulations
- interaction networks
- amino acids
- protein structure prediction
- drug design
- high throughput
- three dimensional
- drug discovery
- protein protein interactions
- protein folding
- sequence analysis
- mass spectrometry data
- coarse grained
- molecular level
- dna computing
- protein sequences
- protein function
- protein function prediction
- computational biology
- fine grained
- signaling pathways
- gene regulation
- protein protein