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pMD-Membrane: A Method for Ligand Binding Site Identification in Membrane-Bound Proteins
Probe-based or mixed solvent molecular dynamics simulation is a useful approach for the identification and characterization of druggable sites in drug targets. However, thus far the method has been applied only to soluble proteins. A major reason for this is the potential effect of the probe molecul...
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| Udgivet i: | PLoS Comput Biol |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Public Library of Science
2015
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4623977/ https://ncbi.nlm.nih.gov/pubmed/26506102 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1004469 |
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