Buried active sites of enzymes are connected to the bulk solvent through a network of hydrophobic channels. We developed a discretized model that can accurately predict ligand transport along hydrophobic channels up to six orders of magnitude faster than any other existing method. The non-dimensional nature of the model makes it applicable to any hydrophobic channel/ligand combination.
|Original language||English (US)|
|Number of pages||4|
|Journal||Computational and Structural Biotechnology Journal|
|State||Published - 2019|
PubMed: MeSH publication types
- Journal Article