TY  - GEN
AU  - Capoferri,Luigi
AU  - Leth,Rasmus
AU  - ter Haar,Ernst
AU  - Mohanty,Arun K
AU  - Grootenhuis,Peter D J
AU  - Vottero,Eduardo
AU  - Commandeur,Jan N M
AU  - Vermeulen,Nico P E
AU  - Jørgensen,Flemming Steen
AU  - Olsen,Lars
AU  - Geerke,Daan P
TI  - Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations
SN  - 1097-0134
PY  - 2016///1110
KW  - Bacillus megaterium
KW  - enzymology
KW  - Bacterial Proteins
KW  - chemistry
KW  - Catalytic Domain
KW  - Crystallography, X-Ray
KW  - Cytochrome P-450 Enzyme System
KW  - Heme
KW  - Hydrogen Bonding
KW  - Mefenamic Acid
KW  - Molecular Docking Simulation
KW  - Molecular Dynamics Simulation
KW  - Mutation, Missense
KW  - Protein Binding
KW  - Protein Structure, Secondary
KW  - Thermodynamics
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1002/prot.24985
ER  -