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quantum modelling

Open Access | Discovery of potent, novel, non-toxic anti-malarial compounds via quantum modelling, virtual screening and in vitro experimental validation

September 28, 2011 - 07:50 -- Patrick Sampao
David J Sullivan Jr, Nikola Kaludov and Martin N Martinov
Malaria Journal 2011, 10:274

A set of innovative algorithms is used for the fast calculation and interpretation of electron-density attributes of molecular structures at the quantum level for rapid discovery of prospective pharmaceuticals.

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