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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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2008. Nitric oxide reactivity with globins as investigated through computer simulation. Methods in enzymology. 437:477-498. Abstract
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2006. Theoretical study of the Hoogsteen-Watson-Crick junctions in DNA. Biophysical journal. 90(3):1000-1008. Abstract
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2002. Ligand-induced changes in the binding sites of proteins. Bioinformatics (Oxford, England). 18(7):939-948. Abstract
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1997. Helical preferences of alanine, glycine, and aminoisobutyric homopeptides. Proteins. 28(1):83-93. Abstract