Studies of Ligand Diffusion Pathways over a Protein Surface.
Lemont B. KierCho-Kung ChengBernard TestaPublished in: J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
- drug design
- virtual screening
- protein interaction data
- drug discovery
- three dimensional
- anisotropic diffusion
- biological entities
- protein protein
- computational approaches
- electron microscope
- amino acids
- protein structure
- protein sequences
- surface reconstruction
- subcellular localization
- high throughput
- d objects
- information diffusion
- diffusion process
- mass spectrometry
- computational methods
- protein complexes
- protein protein interaction networks
- signaling pathways
- cellular processes
- diffusion coefficient