- Publication
- Sep 8, 2015
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Cappel, et al. J. Comput. Aided Mol. Des., 2015, 29(2), 165-182- Publication
- Sep 8, 2015
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Brooks, et al. J. Chem. Inf. Model, 2008, 48, 639-645- Publication
- Sep 8, 2015
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Gannavaram, et al. FASEB J., 2014, 28(1), Supplement 584.4- Publication
- Sep 8, 2015
Pose prediction accuracy in docking studies and enrichment of actives in the active site of GSK-3′
Gadakar, et al. J. Chem. Inf. Model., 2007, 47, 1446-1459- Publication
- Sep 8, 2015
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Migues, et al. ACS Catal., 2015, 5, 2859-2865- Publication
- Sep 8, 2015
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Kenyon, et al. J. Med. Chem., 2006, 49, 1356-1363- Publication
- Sep 8, 2015
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Unger, et al. Scientific Reports, 2015, 5(7850), 1-10- Publication
- Sep 8, 2015
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Ko, et al. J. Chem. Phys., 2008, 128, 104103-104111- Publication
- Sep 8, 2015
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Cheng, et al. J. Phys. Chem. C, 2007, 111, 5115-5127- Publication
- Sep 8, 2015
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Pissarnitski, et al. Bioorganic & Medicinal Chemistry Letters, 2007, 17, 57-62- Publication
- Sep 8, 2015
Hydroxide instead of bicarbonate in the structure of the oxygen evolving complex
Siegbahn, et al. J. Inorg. Biochem., 2006, 100, 1035-1040- Publication
- Jul 20, 2015
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