Molecular Interaction Mechanism of a 14-3-3 Protein with a Phosphorylated Peptide Elucidated by Enhanced Conformational Sampling.
Junichi HigoTakeshi KawabataAyumi KusakaKota KasaharaNarutoshi KamiyaIkuo FukudaKentaro MoriYutaka HataYoshifumi FukunishiHaruki NakamuraPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- mass spectrometry
- hiv protease
- amino acids
- protein folding
- tandem mass spectra
- mass spectra
- molecular structures
- protein structure prediction
- high throughput
- molecular dynamics
- coarse grained
- protein interaction
- drug discovery
- drug design
- sequence analysis
- protein protein interactions
- protein sequences
- ms ms
- tandem mass spectrometry
- virtual screening
- three dimensional
- interaction networks
- random sampling
- experimentally determined
- low energy
- molecular dynamics simulations
- signal transduction
- protein protein
- predicting protein
- amino acid sequences
- sample size