This repository included the source data, computational results, and programs/scripts for the computational redesign of CYP102A1 to enhance its stereoselectivity for the hydroxylation of R-omeprazole.
This event has been computationally inferred from an event that has been demonstrated in another species. The inference is based on the homology mapping from PANTHER. Briefly, reactions for which al
Validation parameters were calculated using different forms of grouping to give an unbiased error estimate. Class wide values are indicated in italic and the global average performance is indicated in
