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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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2010. Understanding and predicting druggability. A high-throughput method for detection of drug binding sites. Journal of medicinal chemistry. 53:5858-5867. Abstract
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2005. Unveiling the full potential of flexible receptor docking using multiple crystallographic structures. Journal of medicinal chemistry. 48(13):4432-4443. Abstract
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2014. VAV3 mediates resistance to breast cancer endocrine therapy.. Breast cancer research : BCR. 16(3):R53-R53. Abstract
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2004. Virtual screening in structure-based drug discovery. Mini reviews in medicinal chemistry. 4(7):779-791. Abstract
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2015. Virtual screening: An in silico tool for interlacing the chemical universe with the proteome. Methods. 71:44-57. Abstract
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