Ontology highlight
ABSTRACT:
SUBMITTER: Mitusinska K
PROVIDER: S-EPMC6315908 | biostudies-literature | 2018 Nov
REPOSITORIES: biostudies-literature
Mitusińska Karolina K Magdziarz Tomasz T Bzówka Maria M Stańczak Agnieszka A Gora Artur A
Biomolecules 20181112 4
Several different approaches are used to describe the role of protein compartments and residues in catalysis and to identify key residues suitable for the modification of the activity or selectivity of the desired enzyme. In our research, we applied a combination of molecular dynamics simulations and a water tracking approach to describe the water accessible volume of <i>Solanum tuberosum</i> epoxide hydrolase. Using water as a molecular probe, we were able to identify small cavities linked with ...[more]