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Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner
Liu, Zhaomin, Pottel, Joshua, Shahamat, Moeed, Tomberg, Anna, Labute, Paul, Moitessier, NicolasLanguage:
english
Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.6b00012
Date:
April, 2016
File:
PDF, 2.77 MB
english, 2016