Kamerlin SCL - Search Results

1

Conformational dynamics and enzyme evolution.

Petrović D, Risso VA, Kamerlin SCL, Sanchez-Ruiz JM. Petrović D, et al. Among authors: kamerlin scl. J R Soc Interface. 2018 Jul;15(144):20180330. doi: 10.1098/rsif.2018.0330. J R Soc Interface. 2018. PMID: 30021929 Free PMC article. Review.

2

Computational protein engineering: bridging the gap between rational design and laboratory evolution.

Barrozo A, Borstnar R, Marloie G, Kamerlin SC. Barrozo A, et al. Int J Mol Sci. 2012 Sep 28;13(10):12428-60. doi: 10.3390/ijms131012428. Int J Mol Sci. 2012. PMID: 23202907 Free PMC article. Review.

3

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.

4

Promiscuity and electrostatic flexibility in the alkaline phosphatase superfamily.

Pabis A, Kamerlin SC. Pabis A, et al. Curr Opin Struct Biol. 2016 Apr;37:14-21. doi: 10.1016/j.sbi.2015.11.008. Epub 2015 Dec 21. Curr Opin Struct Biol. 2016. PMID: 26716576 Free article. Review.

5

Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.

Petrović D, Frank D, Kamerlin SCL, Hoffmann K, Strodel B. Petrović D, et al. Among authors: kamerlin scl. ACS Catal. 2017 Sep 1;7(9):6188-6197. doi: 10.1021/acscatal.7b01575. Epub 2017 Aug 1. ACS Catal. 2017. PMID: 29291138 Free PMC article.

6

Challenges and advances in the computational modeling of biological phosphate hydrolysis.

Petrović D, Szeler K, Kamerlin SCL. Petrović D, et al. Among authors: kamerlin scl. Chem Commun (Camb). 2018 Mar 28;54(25):3077-3089. doi: 10.1039/c7cc09504j. Epub 2018 Feb 7. Chem Commun (Camb). 2018. PMID: 29412205 Review.

7

Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase.

Maršavelski A, Petrović D, Bauer P, Vianello R, Kamerlin SCL. Maršavelski A, et al. Among authors: kamerlin scl. ACS Omega. 2018 Apr 30;3(4):3665-3674. doi: 10.1021/acsomega.8b00346. Epub 2018 Apr 2. ACS Omega. 2018. PMID: 30023875 Free PMC article.

8

In Silico-Directed Evolution Using CADEE.

Amrein BA, Runthala A, Kamerlin SCL. Amrein BA, et al. Among authors: kamerlin scl. Methods Mol Biol. 2019;1851:381-415. doi: 10.1007/978-1-4939-8736-8_22. Methods Mol Biol. 2019. PMID: 30298410

9

Loop Motion in Triosephosphate Isomerase Is Not a Simple Open and Shut Case.

Liao Q, Kulkarni Y, Sengupta U, Petrović D, Mulholland AJ, van der Kamp MW, Strodel B, Kamerlin SCL. Liao Q, et al. Among authors: kamerlin scl. J Am Chem Soc. 2018 Nov 21;140(46):15889-15903. doi: 10.1021/jacs.8b09378. Epub 2018 Nov 8. J Am Chem Soc. 2018. PMID: 30362343 Free article.

10

The role of ligand-gated conformational changes in enzyme catalysis.

Moreira C, Calixto AR, Richard JP, Kamerlin SCL. Moreira C, et al. Among authors: kamerlin scl. Biochem Soc Trans. 2019 Oct 31;47(5):1449-1460. doi: 10.1042/BST20190298. Biochem Soc Trans. 2019. PMID: 31657438 Free PMC article. Review.

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