Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations.
Hugo GuterresWonpil ImPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- high throughput
- molecular dynamics simulations
- molecular dynamics
- mass spectrometry
- mass spectrometry data
- protein protein interactions
- ligand docking
- genome wide
- protein protein
- microarray
- biological data
- systems biology
- proteomic data
- virtual screening
- data acquisition
- data generation
- biological knowledge
- genomic data
- high performance computing
- real time
- protein interaction data
- ms ms
- fluid flow
- protein sequences
- functional modules
- protein folding
- protein interaction
- saccharomyces cerevisiae
- scientific data
- amino acids
- protein interaction networks
- genome sequencing