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Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA
Non-peptidic thrombin inhibitors (TIs; 177 compounds) with diverse groups at motifs P(1) (such as oxyguanidine, amidinohydrazone, amidine, amidinopiperidine), P(2) (such as cyanofluorophenylacetamide, 2-(2-chloro-6-fluorophenyl)acetamide), and P(3) (such as phenylethyl, arylsulfonate groups) were st...
Guardat en:
| Publicat a: | PLoS One |
|---|---|
| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Public Library of Science
2015
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4657979/ https://ncbi.nlm.nih.gov/pubmed/26599107 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0142774 |
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