Protein-Ligand Complexes as Constrained Dynamical Systems.
Burak T. KaynakPemra DorukerPublished in: J. Chem. Inf. Model. (2019)
Keyphrases
- dynamical systems
- protein complexes
- protein protein
- drug design
- virtual screening
- protein protein interactions
- drug discovery
- dynamic systems
- differential equations
- high throughput
- qualitative simulation
- state space
- protein structure
- protein interaction networks
- protein sequences
- protein interaction
- nonlinear dynamical systems
- control theory
- computational approaches
- binding sites
- linear systems
- amino acids
- computational methods
- phase space
- predicting protein
- interaction networks
- agent environment
- predictive state representations
- functional modules
- ppi networks
- protein structure prediction
- computational biology
- dynamical behavior
- dynamical models
- similarity searching
- protein function
- latent variable models
- partially observable markov decision processes
- discrete dynamical systems