Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.

L. Capoferri, R. Leth, E. ter Haar, A.K. Mohanty, P.D.J. Grootenhuis, E.R. Vottero, J.N.M. Commandeur, N.P.E. Vermeulen, F.S. Jorgensen, L. Olsen, D.P. Geerke

Research output: Contribution to JournalArticleAcademicpeer-review

Original languageUndefined/Unknown
Pages (from-to)383-396
JournalProteins
Volume84
Issue number3
DOIs
Publication statusPublished - 2016

Cite this

Capoferri, L. ; Leth, R. ; ter Haar, E. ; Mohanty, A.K. ; Grootenhuis, P.D.J. ; Vottero, E.R. ; Commandeur, J.N.M. ; Vermeulen, N.P.E. ; Jorgensen, F.S. ; Olsen, L. ; Geerke, D.P. / Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. In: Proteins. 2016 ; Vol. 84, No. 3. pp. 383-396.
@article{83a5b71c8c074002977babda6b10f509,
title = "Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.",
author = "L. Capoferri and R. Leth and {ter Haar}, E. and A.K. Mohanty and P.D.J. Grootenhuis and E.R. Vottero and J.N.M. Commandeur and N.P.E. Vermeulen and F.S. Jorgensen and L. Olsen and D.P. Geerke",
year = "2016",
doi = "10.1002/prot.24985",
language = "Undefined/Unknown",
volume = "84",
pages = "383--396",
journal = "Proteins",
issn = "0887-3585",
publisher = "Wiley-Liss Inc.",
number = "3",

}

Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. / Capoferri, L.; Leth, R.; ter Haar, E.; Mohanty, A.K.; Grootenhuis, P.D.J.; Vottero, E.R.; Commandeur, J.N.M.; Vermeulen, N.P.E.; Jorgensen, F.S.; Olsen, L.; Geerke, D.P.

In: Proteins, Vol. 84, No. 3, 2016, p. 383-396.

Research output: Contribution to JournalArticleAcademicpeer-review

TY - JOUR

T1 - Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.

AU - Capoferri, L.

AU - Leth, R.

AU - ter Haar, E.

AU - Mohanty, A.K.

AU - Grootenhuis, P.D.J.

AU - Vottero, E.R.

AU - Commandeur, J.N.M.

AU - Vermeulen, N.P.E.

AU - Jorgensen, F.S.

AU - Olsen, L.

AU - Geerke, D.P.

PY - 2016

Y1 - 2016

U2 - 10.1002/prot.24985

DO - 10.1002/prot.24985

M3 - Article

VL - 84

SP - 383

EP - 396

JO - Proteins

JF - Proteins

SN - 0887-3585

IS - 3

ER -