Oostenbrink C - Search Results

1

A Computational Pipeline Observes the Flexibility and Dynamics of Plant Cytochrome P450 Binding Sites.

Kuvek T, Marcher C, Berteotti A, Lopez Carrillo V, Schleifer KJ, Oostenbrink C. Kuvek T, et al. Among authors: oostenbrink c. Int J Mol Sci. 2024 Oct 23;25(21):11381. doi: 10.3390/ijms252111381. Int J Mol Sci. 2024. PMID: 39518933 Free PMC article.

2

Malleability and versatility of cytochrome P450 active sites studied by molecular simulations.

Oostenbrink C, de Ruiter A, Hritz J, Vermeulen N. Oostenbrink C, et al. Curr Drug Metab. 2012 Feb;13(2):190-6. doi: 10.2174/138920012798918453. Curr Drug Metab. 2012. PMID: 22208533

3

Cytochrome P450 3A4 inhibition by ketoconazole: tackling the problem of ligand cooperativity using molecular dynamics simulations and free-energy calculations.

Bren U, Oostenbrink C. Bren U, et al. Among authors: oostenbrink c. J Chem Inf Model. 2012 Jun 25;52(6):1573-82. doi: 10.1021/ci300118x. Epub 2012 Jun 4. J Chem Inf Model. 2012. PMID: 22587011

4

Rationalization of stereospecific binding of propranolol to cytochrome P450 2D6 by free energy calculations.

Nagy G, Oostenbrink C. Nagy G, et al. Among authors: oostenbrink c. Eur Biophys J. 2012 Dec;41(12):1065-76. doi: 10.1007/s00249-012-0865-x. Epub 2012 Oct 20. Eur Biophys J. 2012. PMID: 23086294 Free PMC article.

5

Molecular dynamics simulations give insight into the conformational change, complex formation, and electron transfer pathway for cytochrome P450 reductase.

Sündermann A, Oostenbrink C. Sündermann A, et al. Among authors: oostenbrink c. Protein Sci. 2013 Sep;22(9):1183-95. doi: 10.1002/pro.2307. Epub 2013 Aug 1. Protein Sci. 2013. PMID: 23832577 Free PMC article.

6

CYP 2D6 binding affinity predictions using multiple ligand and protein conformations.

Perić-Hassler L, Stjernschantz E, Oostenbrink C, Geerke DP. Perić-Hassler L, et al. Among authors: oostenbrink c. Int J Mol Sci. 2013 Dec 17;14(12):24514-30. doi: 10.3390/ijms141224514. Int J Mol Sci. 2013. PMID: 24351831 Free PMC article.

7

Molecular dynamics simulation of the crystallizable fragment of IgG1-insights for the design of Fcabs.

Lai B, Hasenhindl C, Obinger C, Oostenbrink C. Lai B, et al. Among authors: oostenbrink c. Int J Mol Sci. 2014 Jan 2;15(1):438-55. doi: 10.3390/ijms15010438. Int J Mol Sci. 2014. PMID: 24451126 Free PMC article.

8

Cooperative binding of aflatoxin B1 by cytochrome P450 3A4: a computational study.

Bren U, Fuchs JE, Oostenbrink C. Bren U, et al. Among authors: oostenbrink c. Chem Res Toxicol. 2014 Dec 15;27(12):2136-47. doi: 10.1021/tx5004062. Epub 2014 Nov 26. Chem Res Toxicol. 2014. PMID: 25398138

9

Prediction of cytochrome P450 mediated metabolism.

Olsen L, Oostenbrink C, Jørgensen FS. Olsen L, et al. Among authors: oostenbrink c. Adv Drug Deliv Rev. 2015 Jun 23;86:61-71. doi: 10.1016/j.addr.2015.04.020. Epub 2015 May 6. Adv Drug Deliv Rev. 2015. PMID: 25958010 Review.

10

Exploring the binding pathways of the 14-3-3ζ protein: Structural and free-energy profiles revealed by Hamiltonian replica exchange molecular dynamics with distancefield distance restraints.

Nagy G, Oostenbrink C, Hritz J. Nagy G, et al. Among authors: oostenbrink c. PLoS One. 2017 Jul 20;12(7):e0180633. doi: 10.1371/journal.pone.0180633. eCollection 2017. PLoS One. 2017. PMID: 28727767 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

219 results

Search Page

Filters