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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
- Gaussian 09 and Antechamber12
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- Parametrize new ligands for AMBER and CHARMM
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2009. Ideal dipole approximation fails to predict electronic coupling and energy transfer between semiconducting single-wall carbon nanotubes. Journal of Chemical Physics. 130(8) Abstract
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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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2008. Induction effects in metal cation-benzene complexes. Physical chemistry chemical physics : PCCP. 10(19):2616-2624. Abstract
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2007. Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues. Molecular cancer therapeutics. 6(4):1198-1211. Abstract
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1998. Is polarization important in cation-pi interactions? Proceedings of the National Academy of Sciences of the United States of America. 95(11):5976-5980. Abstract