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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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2006. Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces. Journal of Chemical Physics. 125(5) Abstract
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2004. MST study of group contributions for alkane derivatives: effect of the charge normalization. Chemical Physics Letters. 384(4-6):299-305. Abstract
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2003. Electrostatic component of solvation: Comparison of SCRF continuum models. Journal of Computational Chemistry. 24(3):284-297. Abstract