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Fully atomistic molecular dynamics modeling of photoswitchable azo-PC lipid bilayers: structure, mechanical properties, and drug permeation

https://doi.org/10.1039/d4nr02509a

Alberto, Kevin A; Hasna_Begam, M N; Xiong, Hejian; Shinoda, Wataru; Slesinger, Paul A; Qin, Zhenpeng; Nielsen, Steven O (January 2025, Nanoscale)

A phenol molecule is shown at its free energy minimum in atransazo-PC lipid bilayer, where it interacts with the azobenzene groups that are incorporated into one of the two phosphatidylcholine lipid tails.
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Free, publicly-accessible full text available January 23, 2026
Efficient $d$ -dimensional molecular dynamics simulations for studies of the glass-jamming transition

https://doi.org/10.1103/PhysRevE.105.055305

Hoy, Robert S.; Interiano-Alberto, Kevin A. (May 2022, Physical Review E)

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Optical control of neuronal activities with photoswitchable nanovesicles

https://doi.org/10.1007/s12274-022-4853-x

Xiong, Hejian; Alberto, Kevin A.; Youn, Jonghae; Taura, Jaume; Morstein, Johannes; Li, Xiuying; Wang, Yang; Trauner, Dirk; Slesinger, Paul A.; Nielsen, Steven O.; et al (January 2023, Nano Research)

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