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Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C10E4/water mixture with lamellar bilayer formation.
J Cheminform. 2023 Feb 19;15(1):23. doi: 10.1186/s13321-023-00697-w.
J Cheminform. 2023.
PMID: 36803857
Free PMC article.
MORTAR: a rich client application for in silico molecule fragmentation.
Bänsch F, Schaub J, Sevindik B, Behr S, Zander J, Steinbeck C, Zielesny A.
Bänsch F, et al.
J Cheminform. 2023 Jan 2;15(1):1. doi: 10.1186/s13321-022-00674-9.
J Cheminform. 2023.
PMID: 36593523
Free PMC article.
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Notes on the Treatment of Charged Particles for Studying Cyclotide/Membrane Interactions with Dissipative Particle Dynamics.
Bänsch F, Steinbeck C, Zielesny A.
Bänsch F, et al.
Membranes (Basel). 2022 Jun 14;12(6):619. doi: 10.3390/membranes12060619.
Membranes (Basel). 2022.
PMID: 35736327
Free PMC article.
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