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Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations
[Image: see text] Cyclic peptides have attracted attention as a promising pharmaceutical modality due to their potential to selectively inhibit previously undruggable targets, such as intracellular protein–protein interactions. Poor membrane permeability is the biggest bottleneck hindering successfu...
Autores principales: | Sugita, Masatake, Fujie, Takuya, Yanagisawa, Keisuke, Ohue, Masahito, Akiyama, Yutaka |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9516681/ https://www.ncbi.nlm.nih.gov/pubmed/36053061 http://dx.doi.org/10.1021/acs.jcim.2c00931 |
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