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Binding free energy of selected anticancer compounds to DNA – theoretical calculations

✍ Scribed by Maciej Baginski; Paolo Polucci; Ippolito Antonini; Sante Martelli

Book ID
106239404
Publisher
Springer-Verlag
Year
2002
Tongue
English
Weight
169 KB
Volume
8
Category
Article
ISSN
1610-2940

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✍ Denise Steiner; Chris Oostenbrink; François Diederich; Martina Zürcher; Wilfred 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 783 KB

## Abstract An understanding at the atomic level of the driving forces of inhibitor binding to the protein plasmepsin (PM) II would be of interest to the development of drugs against malaria. To this end, three state of the art computational techniques to compute relative free energies—thermodynami