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Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds
Predicting the rate of nonfacilitated permeation of solutes across lipid bilayers is important to drug design, toxicology, and signaling. These rates can be estimated using molecular dynamics simulations combined with the inhomogeneous solubility-diffusion model, which requires calculation of the po...
Gorde:
| Argitaratua izan da: | J Chem Inf Model |
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| Egile Nagusiak: | , , , , , , , , , , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
2016
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5280572/ https://ncbi.nlm.nih.gov/pubmed/27043429 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.6b00022 |
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