Molecular Simulation of Conformational Pre-Organization in Cyclic RGD Peptides.
Amanda E. WakefieldWilliam M. WuestVincent A. VoelzPublished in: J. Chem. Inf. Model. (2015)
Keyphrases
- hiv protease
- coarse grained
- simulation model
- mass spectrometry data
- protein protein interactions
- molecular dynamics simulations
- molecular dynamics
- three dimensional
- information systems
- fine grained
- simulation environment
- simulation models
- simulation study
- mass spectrometry
- data sets
- amino acids
- information processing
- support vector machine
- sequence analysis
- neural network