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

doi:10.1002/prot.24985

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 Journal › Article › Academic › peer-review

Original language	Undefined/Unknown
Pages (from-to)	383-396
Journal	Proteins
Volume	84
Issue number	3
DOIs	https://doi.org/10.1002/prot.24985
Publication status	Published - 2016

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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. (2016). Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. Proteins, 84(3), 383-396. https://doi.org/10.1002/prot.24985

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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",

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journal = "Proteins",

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Capoferri, L, Leth, R, ter Haar, E, Mohanty, AK, Grootenhuis, PDJ, Vottero, ER, Commandeur, JNM, Vermeulen, NPE, Jorgensen, FS, Olsen, L & Geerke, DP 2016, 'Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.', Proteins, vol. 84, no. 3, pp. 383-396. https://doi.org/10.1002/prot.24985

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

SN - 0887-3585

VL - 84

SP - 383

EP - 396

JO - Proteins

JF - Proteins

IS - 3

ER -