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The power of coarse graining in biomolecular simulations.
Ingólfsson HI, Lopez CA, Uusitalo JJ, de Jong DH, Gopal SM, Periole X, Marrink SJ. Ingólfsson HI, et al. Among authors: de jong dh. Wiley Interdiscip Rev Comput Mol Sci. 2014 May;4(3):225-248. doi: 10.1002/wcms.1169. Wiley Interdiscip Rev Comput Mol Sci. 2014. PMID: 25309628 Free PMC article.
Improved Parameters for the Martini Coarse-Grained Protein Force Field.
de Jong DH, Singh G, Bennett WF, Arnarez C, Wassenaar TA, Schäfer LV, Periole X, Tieleman DP, Marrink SJ. de Jong DH, et al. J Chem Theory Comput. 2013 Jan 8;9(1):687-97. doi: 10.1021/ct300646g. Epub 2012 Nov 28. J Chem Theory Comput. 2013. PMID: 26589065
Molecular Dynamics of Photosystem II Embedded in the Thylakoid Membrane.
van Eerden FJ, van den Berg T, Frederix PWJM, de Jong DH, Periole X, Marrink SJ. van Eerden FJ, et al. Among authors: de jong dh. J Phys Chem B. 2017 Apr 20;121(15):3237-3249. doi: 10.1021/acs.jpcb.6b06865. Epub 2016 Sep 28. J Phys Chem B. 2017. PMID: 27624992 Free article.
Phytochemicals perturb membranes and promiscuously alter protein function.
Ingólfsson HI, Thakur P, Herold KF, Hobart EA, Ramsey NB, Periole X, de Jong DH, Zwama M, Yilmaz D, Hall K, Maretzky T, Hemmings HC Jr, Blobel C, Marrink SJ, Koçer A, Sack JT, Andersen OS. Ingólfsson HI, et al. Among authors: de jong dh. ACS Chem Biol. 2014 Aug 15;9(8):1788-98. doi: 10.1021/cb500086e. Epub 2014 Jun 17. ACS Chem Biol. 2014. PMID: 24901212 Free PMC article.
21 results