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- Group Seminar and Journal Club 2017 - NEW!
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- Installing PyMol from MacPorts
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- Parametrize new ligands for AMBER and CHARMM
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2009. The impact of monovalent ion force field model in nucleic acids simulations. Physical chemistry chemical physics : PCCP. 11(45):10596-10607. Abstract
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2009. Ab initio study of the structural, tautomeric, pairing, and electronic properties of seleno-derivatives of thymine. The journal of physical chemistry.B. 113(43):14465-14472. Abstract
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2009. Unique tautomeric and recognition properties of thioketothymines? Journal of the American Chemical Society. 131(35):12845-12853. Abstract
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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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1999. Predicting relative binding free energies of tacrine-huperzine A hybrids as inhibitors of acetylcholinesterase. Journal of medicinal chemistry. 42(25):5110-5119. Abstract