Search Results - Open Polar - "computational chemistry"

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From the Artic to fetal life: physiological importance and structural basis of an "additional" chloride binding site in haemoglobin

by Castagnola, Massimo, Giardina, Bruno, De Rosa, Maria Cristina
Published 2004
“... of computational chemistry results, obtained by the GRID program, further confirm the hypothesis that the reason...”

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From the Arctic to fetal life: physiological importance and structural basis of an additional chloride-binding site in haemoglobin

by DE ROSA, M. Cristina, CASTAGNOLA, Massimo, BERTONATI, Claudia, GALTIERI, Antonio, GIARDINA, Bruno
Published in Biochemical Journal (2004)
“... for ligand binding that involves an additional binding site for chloride ion. Analysis of computational...”

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From the Arctic to fetal life: physiological importance and structural basis of an 'additional' chloride-binding site in haemoglobin.

by De Rosa, M Cristina, Castagnola, Massimo, Bertonati, Claudia, Galtieri, Antonio, Giardina, Bruno
Published in Biochemical Journal (2004)
“... of computational chemistry results, obtained by the GRID program, further confirm the hypothesis that the reason...”

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Assessment of chemical screening outcomes based on different partitioning property estimation methods

by Zhang, X., Brown, T.N., Wania, F., Heimstad, E.S., Goss, Kai Uwe
Published in Environment International (2010)
“... relationships (QSPRs) and other computational chemistry methods becomes indispensable. Predictions by different...”

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5

WISDOM-II: Screening against multiple targets implicated in malaria using computational grid infrastructures

by Kenyon Colin, Maass Astrid, Kim Doman, Isea Raul, Degliesposti Gianluca, Dacosta Ana, Botha Marli, Salzemann Jean, Kasam Vinod, Rastelli Giulio, Hofmann-Apitius Martin, Breton Vincent
Published in Malaria Journal (2009)
“... and lead optimization. This approach, therefore builds, upon the progress made in computational chemistry...”

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