Don CG - Search Results

1

Conformational Landscape of Cytochrome P450 Reductase Interactions.

Sellner M, Fischer A, Don CG, Smieško M. Sellner M, et al. Among authors: don cg. Int J Mol Sci. 2021 Jan 20;22(3):1023. doi: 10.3390/ijms22031023. Int J Mol Sci. 2021. PMID: 33498551 Free PMC article.

2

Molecular Dynamics Simulations Reveal Structural Differences among Allelic Variants of Membrane-Anchored Cytochrome P450 2D6.

Fischer A, Don CG, Smieško M. Fischer A, et al. Among authors: don cg. J Chem Inf Model. 2018 Sep 24;58(9):1962-1975. doi: 10.1021/acs.jcim.8b00080. Epub 2018 Sep 4. J Chem Inf Model. 2018. PMID: 30126275

3

Deciphering Reaction Determinants of Altered-Activity CYP2D6 Variants by Well-Tempered Metadynamics Simulation and QM/MM Calculations.

Don CG, Smieško M. Don CG, et al. J Chem Inf Model. 2020 Dec 28;60(12):6642-6653. doi: 10.1021/acs.jcim.0c01091. Epub 2020 Dec 3. J Chem Inf Model. 2020. PMID: 33269921

4

Microsecond MD simulations of human CYP2D6 wild-type and five allelic variants reveal mechanistic insights on the function.

Don CG, Smieško M. Don CG, et al. PLoS One. 2018 Aug 22;13(8):e0202534. doi: 10.1371/journal.pone.0202534. eCollection 2018. PLoS One. 2018. PMID: 30133539 Free PMC article.

5

In Silico Pharmacogenetics CYP2D6 Study Focused on the Pharmacovigilance of Herbal Antidepressants.

Don CG, Smieško M. Don CG, et al. Front Pharmacol. 2020 May 13;11:683. doi: 10.3389/fphar.2020.00683. eCollection 2020. Front Pharmacol. 2020. PMID: 32477141 Free PMC article.

6

Less Is More: Coarse-Grained Integrative Modeling of Large Biomolecular Assemblies with HADDOCK.

Roel-Touris J, Don CG, V Honorato R, Rodrigues JPGLM, Bonvin AMJJ. Roel-Touris J, et al. Among authors: don cg. J Chem Theory Comput. 2019 Nov 12;15(11):6358-6367. doi: 10.1021/acs.jctc.9b00310. Epub 2019 Oct 10. J Chem Theory Comput. 2019. PMID: 31539250 Free PMC article.

7

Scents and sense: in silico perspectives on olfactory receptors.

Don CG, Riniker S. Don CG, et al. J Comput Chem. 2014 Dec 15;35(32):2279-87. doi: 10.1002/jcc.23757. Epub 2014 Oct 18. J Comput Chem. 2014. PMID: 25327850 Review.

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