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...
| Những tác giả chính: | , , |
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| Tác giả khác: | |
| Định dạng: | Journal Article |
| Ngôn ngữ: | English |
| Được phát hành: |
2019
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| Những chủ đề: | |
| Truy cập trực tuyến: | https://hdl.handle.net/10356/106542 http://hdl.handle.net/10220/48936 |