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- Group Seminar and Journal Club 2017 - NEW!
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- Group Seminars and Journal Clubs - 2016
- Installing PyMol from MacPorts
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- Small Molecule Dihedrals Parametrization
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- Parametrize new ligands for AMBER and CHARMM
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2005. Nature of minor-groove binders-DNA complexes in the gas phase. Journal of the American Chemical Society. 127(33):11690-11698. Abstract
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2004. Modulation of binding strength in several classes of active site inhibitors of acetylcholinesterase studied by comparative binding energy analysis. Journal of medicinal chemistry. 47(18):4471-4482. Abstract
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2003. QSAR study of dual cyclooxygenase and 5-lipoxygenase inhibitors 2,6-di-tert-butylphenol derivatives. Bioorganic & medicinal chemistry. 11(19):4207-4216. Abstract