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CYP 2D6 binding affinity predictions using multiple ligand and protein conformations.
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.
Towards automated binding affinity prediction using an iterative linear interaction energy approach.
Vosmeer CR, Pool R, Van Stee MF, Peric-Hassler L, Vermeulen NP, Geerke DP.
Vosmeer CR, et al. Among authors: peric hassler l.
Int J Mol Sci. 2014 Jan 9;15(1):798-816. doi: 10.3390/ijms15010798.
Int J Mol Sci. 2014.
PMID: 24413750
Free PMC article.
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Interaction of the disaccharides trehalose and gentiobiose with lipid bilayers: a comparative molecular dynamics study.
Horta BA, Perić-Hassler L, Hünenberger PH.
Horta BA, et al. Among authors: peric hassler l.
J Mol Graph Model. 2010 Nov;29(3):331-46. doi: 10.1016/j.jmgm.2010.09.013. Epub 2010 Oct 8.
J Mol Graph Model. 2010.
PMID: 21115286
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Conformational properties of glucose-based disaccharides investigated using molecular dynamics simulations with local elevation umbrella sampling.
Perić-Hassler L, Hansen HS, Baron R, Hünenberger PH.
Perić-Hassler L, et al.
Carbohydr Res. 2010 Aug 16;345(12):1781-801. doi: 10.1016/j.carres.2010.05.026. Epub 2010 Jun 1.
Carbohydr Res. 2010.
PMID: 20576257
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