Blind docking of pharmaceutically relevant compounds using RosettaLigand

Por Davis, Ian W, Raha, Kaushik, Head, Martha S, Baker, David
Publicado em 2009

[3a,4]-Dihydropyrazolo[1,5a]pyrimidines: Novel, Potent, and Selective Phosphatidylinositol-3-kinase β Inhibitors

Por Yu, Hongyi, Moore, Michael L., Erhard, Karl, Hardwicke, Mary Ann, Lin, Hong, Luengo, Juan I., McSurdy-Freed, Jeanelle, Plant, Ramona, Qu, Junya, Raha, Kaushik, Rominger, Cynthia M., Schaber, Michael D., Spengler, Michael D., Rivero, Ralph A.
Publicado em 2013

Rational Design, Synthesis, and SAR of a Novel Thiazolopyrimidinone Series of Selective PI3K-beta Inhibitors

Por Lin, Hong, Schulz, Mark J., Xie, Ren, Zeng, Jin, Luengo, Juan I., Squire, Michael D., Tedesco, Rosanna, Qu, Junya, Erhard, Karl, Mack, James F., Raha, Kaushik, Plant, Ramona, Rominger, Cynthia M., Ariazi, Jennifer L., Sherk, Christian S., Schaber, Michael D., McSurdy-Freed, Jeanelle, Spengler, Michael D., Davis, Charles B., Hardwicke, Mary Ann, Rivero, Ralph A.
Publicado em 2012

Discovery of a Potent Class of PI3Kα Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT)

Por Yang, Hongfang, Medeiros, Patricia F., Raha, Kaushik, Elkins, Patricia, Lind, Kenneth E., Lehr, Ruth, Adams, Nicholas D., Burgess, Joelle L., Schmidt, Stanley J., Knight, Steven D., Auger, Kurt R., Schaber, Michael D., Franklin, G. Joseph, Ding, Yun, DeLorey, Jennifer L., Centrella, Paolo A., Mataruse, Sibongile, Skinner, Steven R., Clark, Matthew A., Cuozzo, John W., Evindar, Ghotas
Publicado no ACS Med Chem Lett (2015)

Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors

Por Lin, Hong, Zeng, Jin, Xie, Ren, Schulz, Mark J., Tedesco, Rosanna, Qu, Junya, Erhard, Karl F., Mack, James F., Raha, Kaushik, Rendina, Alan R., Szewczuk, Lawrence M., Kratz, Patricia M., Jurewicz, Anthony J., Cecconie, Ted, Martens, Stan, McDevitt, Patrick J., Martin, John D., Chen, Stephenie B., Jiang, Yong, Nickels, Leng, Schwartz, Benjamin J., Smallwood, Angela, Zhao, Baoguang, Campobasso, Nino, Qian, Yanqiu, Briand, Jacques, Rominger, Cynthia M., Oleykowski, Catherine, Hardwicke, Mary Ann, Luengo, Juan I.
Publicado no ACS Med Chem Lett (2015)

Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin

Por Knight, Steven D., Adams, Nicholas D., Burgess, Joelle L., Chaudhari, Amita M., Darcy, Michael G., Donatelli, Carla A., Luengo, Juan I., Newlander, Ken A., Parrish, Cynthia A., Ridgers, Lance H., Sarpong, Martha A., Schmidt, Stanley J., Van Aller, Glenn S., Carson, Jeffrey D., Diamond, Melody A., Elkins, Patricia A., Gardiner, Christine M., Garver, Eric, Gilbert, Seth A., Gontarek, Richard R., Jackson, Jeffrey R., Kershner, Kevin L., Luo, Lusong, Raha, Kaushik, Sherk, Christian S., Sung, Chiu-Mei, Sutton, David, Tummino, Peter J., Wegrzyn, Ronald J., Auger, Kurt R., Dhanak, Dashyant
Publicado em 2010