Capoferri, Luigi

Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. [electronic resource] - Proteins Mar 2016 - 383-96 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1097-0134

10.1002/prot.24985 doi


Bacillus megaterium--enzymology
Bacterial Proteins--chemistry
Catalytic Domain
Crystallography, X-Ray
Cytochrome P-450 Enzyme System--chemistry
Heme--chemistry
Hydrogen Bonding
Mefenamic Acid--chemistry
Molecular Docking Simulation
Molecular Dynamics Simulation
Mutation, Missense
Protein Binding
Protein Structure, Secondary
Thermodynamics