The effect of molecular shape on oligomerization of hydrophobic drugs : molecular simulations of ciprofloxacin and nutlin

Molecular aggregation plays a significant role in modulating the solubility, permeability, and bioactivity of drugs. The propensity to aggregate depends on hydrophobicity and on molecular shape. Molecular dynamics simulations coupled with enhanced sampling methods are used to explore the early stage...

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Những tác giả chính: Li, Jianguo, Beuerman, Roger, Verma, Chandra
Tác giả khác: School of Chemical and Biomedical Engineering
Định dạng: Journal Article
Ngôn ngữ:English
Được phát hành: 2019
Những chủ đề:
Truy cập trực tuyến:https://hdl.handle.net/10356/106542
http://hdl.handle.net/10220/48936