Decoys for Docking

Por Graves, Alan P., Brenk, Ruth, Shoichet, Brian K.
Publicado em 2005

Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site

Por Boyce, Sarah E., Mobley, David L., Rocklin, Gabriel, Graves, Alan P., Dill, Ken A., Shoichet, Brian K.
Publicado em 2009

Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing

Por Graves, Alan P., Shivakumar, Devleena M., Boyce, Sarah E., Jacobson, Matthew P., Case, David A., Shoichet, Brian K.
Publicado em 2008

Predicting absolute ligand binding free energies to a simple model site

Por Mobley, David L., Graves, Alan P., Chodera, John D., McReynolds, Andrea C., Shoichet, Brian K., Dill, Ken A.
Publicado em 2007

Inhibition of the Cardiomyocyte-Specific Kinase TNNI3K Limits Oxidative Stress, Injury, and Adverse Remodeling in the Ischemic Heart

Por Vagnozzi, Ronald J., Gatto, Gregory J., Kallander, Lara S., Hoffman, Nicholas E., Mallilankaraman, Karthik, Ballard, Victoria L. T., Lawhorn, Brian G., Stoy, Patrick, Philp, Joanne, Graves, Alan P., Naito, Yoshiro, Lepore, John J., Gao, Erhe, Madesh, Muniswamy, Force, Thomas
Publicado no Sci Transl Med (2013)

Mutation of A677 in histone methyltransferase EZH2 in human B-cell lymphoma promotes hypertrimethylation of histone H3 on lysine 27 (H3K27)

Por McCabe, Michael T., Graves, Alan P., Ganji, Gopinath, Diaz, Elsie, Halsey, Wendy S., Jiang, Yong, Smitheman, Kimberly N., Ott, Heidi M., Pappalardi, Melissa B., Allen, Kimberly E., Chen, Stephanie B., Della Pietra, Anthony, Dul, Edward, Hughes, Ashley M., Gilbert, Seth A., Thrall, Sara H., Tummino, Peter J., Kruger, Ryan G., Brandt, Martin, Schwartz, Benjamin, Creasy, Caretha L.
Publicado em 2012

Identification of Potent, Selective, Cell-Active Inhibitors of the Histone Lysine Methyltransferase EZH2

Por Verma, Sharad K., Tian, Xinrong, LaFrance, Louis V., Duquenne, Céline, Suarez, Dominic P., Newlander, Kenneth A., Romeril, Stuart P., Burgess, Joelle L., Grant, Seth W., Brackley, James A., Graves, Alan P., Scherzer, Daryl A., Shu, Art, Thompson, Christine, Ott, Heidi M., Aller, Glenn S. Van, Machutta, Carl A., Diaz, Elsie, Jiang, Yong, Johnson, Neil W., Knight, Steven D., Kruger, Ryan G., McCabe, Michael T., Dhanak, Dashyant, Tummino, Peter J., Creasy, Caretha L., Miller, William H.
Publicado em 2012