Recent advances on molecular dynamics-based techniques to address drug membrane permeability with atomistic detail
Several factors affect the passive membrane permeation of small molecules, including size, charge, pH, or the presence of specific chemical groups. Understanding these features is paramount to identifying or designing drug candidates with optimal ADMET properties and this can be achieved through exp...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-01-01
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| Series: | BBA Advances |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667160323000285 |