Published September 23, 2019
| Version v0
Journal article
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Inhibition of porcine aminopeptidase M (pAMP) by the pentapeptide microginins
Authors/Creators
- 1. Department of Pharmacy, School of Pharmaceutical Sciences, University of São Paulo, Av Prof Lineu Prestes, 580, Bl. 13, CEP 05508-000, São Paulo/SP, Brazil
- 2. Department of Medical Oncology and Pneumology, Department of Internal Medicine VIII, University Hospital of Tübingen, Otfried-Müller-Strasse 14, Tübingen, DE 72076; University of Eastern Finland, School of Pharmacy, Faculty of Health Sciences, Kuopio 70211, Finland.
- 3. Department of Clinical and Toxicological Analyses, School of Pharmaceutical Sciences, University of São Paulo, Av Prof Lineu Prestes, 580, Bl. 17, CEP 05508-000, São Paulo/SP, Brazil;
- 4. Department of Biochemistry, Institute of Chemistry, University of São Paulo, Av Prof Lineu Prestes, 748, Bl. 12, CEP 05508-000, São Paulo/SP, Brazil;
Description
Data related to the publication:
Inhibition of porcine aminopeptidase M (pAMP) by the pentapeptide microginins
The files include raw trajectory files (500 ns each) of the Desmond MD simulations of different microginin deriviatives and amastatin within the active site of AMP. Both simulated in the ionized amine form (prot) or neutral (deprot).
SID - contains the output Simulation interaction diagrams and interaction raw data.
Files
AMA_deprot.zip
Files
(21.8 GB)
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