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Molecular dynamics simulations of stratum corneum lipid mixtures: A multiscale perspective.
Biochem Biophys Res Commun. 2018 Mar 29;498(2):313-318. doi: 10.1016/j.bbrc.2017.09.040. Epub 2017 Sep 11.
Biochem Biophys Res Commun. 2018.
PMID: 28911866
Free PMC article.
Accurate Determination of Cavitand Binding Free Energies via Unrestrained Advanced Sampling.
Leonhard AC, Whitmer JK.
Leonhard AC, et al.
J Chem Theory Comput. 2019 Nov 12;15(11):5761-5768. doi: 10.1021/acs.jctc.9b00348. Epub 2019 Oct 11.
J Chem Theory Comput. 2019.
PMID: 31566977
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