Kamerlin SCL - Search Results

1

Theoretical modelling of epigenetically modified DNA sequences.

Carvalho ATP, Gouveia ML, Raju Kanna C, Wärmländer SKTS, Platts J, Kamerlin SCL. Carvalho ATP, et al. Among authors: kamerlin scl. F1000Res. 2015 Feb 24;4:52. doi: 10.12688/f1000research.6148.2. eCollection 2015. F1000Res. 2015. PMID: 26448859 Free PMC article.

2

Understanding the structural and dynamic consequences of DNA epigenetic modifications: computational insights into cytosine methylation and hydroxymethylation.

Carvalho AT, Gouveia L, Kanna CR, Wärmländer SK, Platts JA, Kamerlin SC. Carvalho AT, et al. Epigenetics. 2014 Dec;9(12):1604-12. doi: 10.4161/15592294.2014.988043. Epigenetics. 2014. PMID: 25625845 Free PMC article.

3

Where are the female science professors? A personal perspective.

Kamerlin SC. Kamerlin SC. F1000Res. 2016 Jun 6;5:1224. doi: 10.12688/f1000research.8889.2. eCollection 2016. F1000Res. 2016. PMID: 27347383 Free PMC article.

4

Concerted or stepwise: how much do free-energy landscapes tell us about the mechanisms of elimination reactions?

Duarte F, Gronert S, Kamerlin SC. Duarte F, et al. J Org Chem. 2014 Feb 7;79(3):1280-8. doi: 10.1021/jo402702m. Epub 2014 Jan 24. J Org Chem. 2014. PMID: 24404911 Free PMC article.

5

The alkaline hydrolysis of sulfonate esters: challenges in interpreting experimental and theoretical data.

Duarte F, Geng T, Marloie G, Al Hussain AO, Williams NH, Kamerlin SC. Duarte F, et al. J Org Chem. 2014 Apr 4;79(7):2816-28. doi: 10.1021/jo402420t. Epub 2013 Dec 6. J Org Chem. 2014. PMID: 24279349 Free PMC article.

6

DNA Polymerase λ Active Site Favors a Mutagenic Mispair between the Enol Form of Deoxyguanosine Triphosphate Substrate and the Keto Form of Thymidine Template: A Free Energy Perturbation Study.

Maximoff SN, Kamerlin SCL, Florián J. Maximoff SN, et al. Among authors: kamerlin scl. J Phys Chem B. 2017 Aug 24;121(33):7813-7822. doi: 10.1021/acs.jpcb.7b04874. Epub 2017 Aug 14. J Phys Chem B. 2017. PMID: 28732447

7

Force field independent metal parameters using a nonbonded dummy model.

Duarte F, Bauer P, Barrozo A, Amrein BA, Purg M, Aqvist J, Kamerlin SC. Duarte F, et al. J Phys Chem B. 2014 Apr 24;118(16):4351-62. doi: 10.1021/jp501737x. Epub 2014 Apr 15. J Phys Chem B. 2014. PMID: 24670003 Free PMC article.

8

Challenges in computational studies of enzyme structure, function and dynamics.

Carvalho AT, Barrozo A, Doron D, Kilshtain AV, Major DT, Kamerlin SC. Carvalho AT, et al. J Mol Graph Model. 2014 Nov;54:62-79. doi: 10.1016/j.jmgm.2014.09.003. Epub 2014 Sep 28. J Mol Graph Model. 2014. PMID: 25306098 Free article.

9

Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase ε.

Parkash V, Kulkarni Y, Ter Beek J, Shcherbakova PV, Kamerlin SCL, Johansson E. Parkash V, et al. Among authors: kamerlin scl. Nat Commun. 2019 Jan 22;10(1):373. doi: 10.1038/s41467-018-08114-9. Nat Commun. 2019. PMID: 30670696 Free PMC article.

10

The N-terminal Helix-Turn-Helix Motif of Transcription Factors MarA and Rob Drives DNA Recognition.

Corbella M, Liao Q, Moreira C, Parracino A, Kasson PM, Kamerlin SCL. Corbella M, et al. Among authors: kamerlin scl. J Phys Chem B. 2021 Jul 1;125(25):6791-6806. doi: 10.1021/acs.jpcb.1c00771. Epub 2021 Jun 17. J Phys Chem B. 2021. PMID: 34137249 Free PMC article.

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