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- Group Seminar and Journal Club 2017 - NEW!
- Group Seminar and Journal Club 2016 - NEW!
- Group Seminars and Journal Clubs - 2016
- Installing PyMol from MacPorts
- How to calculate ROC curves
- MIPGen
- Small Molecule Dihedrals Parametrization
- Gaussian 09 and Antechamber12
- Organic solvent boxes
- Parametrize new ligands for AMBER and CHARMM
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2003. Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO-based MST study. Journal of Computational Chemistry. 24(1):32-45. Abstract
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1998. Triple helix stabilization properties of oligonucleotides containing 8-amino-2'-deoxyguanosine. Bioorganic & medicinal chemistry letters. 8(21):3011-3016. Abstract
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2011. Triplet-Triplet Energy Transfer in DNA: A Process that Occurs on the Nanosecond Timescale. Angewandte Chemie-International Edition. 50(8):1820-1822.
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2014. TuberQ: a Mycobacterium tuberculosis protein druggability database.. Database : the journal of biological databases and curation. 2014:bau035-bau035. Abstract