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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...
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| Pubblicato in: | PLoS One |
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| Autori principali: | , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Public Library of Science
2015
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| Soggetti: | |
| Accesso online: | 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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