Is Structure-Based Drug Design Ready for Selectivity Optimization? von Albanese, Steven K, Chodera, John D, Volkamer, Andrea, Keng, Simon, Abel, Robert, Wang, Lingle

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Mutation in Abl kinase with altered drug-binding kinetics indicates a novel mechanism of imatinib resistance von Lyczek, Agatha, Berger, Benedict-Tilman, Rangwala, Aziz M., Paung, YiTing, Tom, Jessica, Philipose, Hannah, Guo, Jiaye, Albanese, Steven K., Robers, Matthew B., Knapp, Stefan, Chodera, John D., Seeliger, Markus A.

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The maximal and current accuracy of rigorous protein-ligand binding free energy calculations von Ross, Gregory A., Lu, Chao, Scarabelli, Guido, Albanese, Steven K., Houang, Evelyne, Abel, Robert, Harder, Edward D., Wang, Lingle

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A dynamic mechanism for allosteric activation of Aurora kinase A by activation loop phosphorylation von Ruff, Emily F, Muretta, Joseph M, Thompson, Andrew R, Lake, Eric W, Cyphers, Soreen, Albanese, Steven K, Hanson, Sonya M, Behr, Julie M, Thomas, David D, Chodera, John D, Levinson, Nicholas M

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Predicting resistance of clinical Abl mutations to targeted kinase inhibitors using alchemical free-energy calculations von Hauser, Kevin, Negron, Christopher, Albanese, Steven K., Ray, Soumya, Steinbrecher, Thomas, Abel, Robert, Chodera, John D., Wang, Lingle

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An Open Library of Human Kinase Domain Constructs for Automated Bacterial Expression von Albanese, Steven K, Parton, Daniel L, Işık, Mehtap, Rodríguez-Laureano, Lucelenie, Hanson, Sonya M, Behr, Julie M, Gradia, Scott, Jeans, Chris, Levinson, Nicholas M, Seeliger, Markus A, Chodera, John D

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Structural basis for isoform-specific inhibition of human CTPS1 von Lynch, Eric M., DiMattia, Michael A., Albanese, Steven, van Zundert, Gydo C. P., Hansen, Jesse M., Quispe, Joel D., Kennedy, Madison A., Verras, Andreas, Borrelli, Kenneth, Toms, Angela V., Kaila, Neelu, Kreutter, Kevin D., McElwee, Joshua J., Kollman, Justin M.

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Discovery and characterization of novel inhibitors of CTP synthase 1 (CTPS1) for the treatment of autoimmune and inflammatory disease von McElwee, Joshua J, Kaila, Neelu, Carreiro, Samantha, Kumar, Sheetal, Toms, Angela V, Phadke, Avinash, Jacques, Suzanne, Caravella, Justin A, Kreutter, Kevin, Campos, Sebastien, Verras, Andreas, Albanese, Steven K, Demarco, Kevin R, DiMattia, Michael A, Lynch, Eric, Kollman, Justin, Tummino, Peter

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Simulating mTOR Hyperactivating Mutations to Understand Functionally Significant Structural Rearrangements von Albanese, Steven, Xu, Jianing, Hsieh, James, Chodera, John D.

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Acquired resistance to IDH inhibition through trans or cis dimer-interface mutations von Intlekofer, Andrew M., Shih, Alan H., Wang, Bo, Nazir, Abbas, Rustenburg, Ariën S., Albanese, Steven K., Patel, Minal, Famulare, Christopher, Correa, Fabian M., Takemoto, Naofumi, Durani, Vidushi, Liu, Hui, Taylor, Justin, Farnoud, Noushin, Papaemmanuil, Elli, Cross, Justin R., Tallman, Martin S., Arcila, Maria E., Roshal, Mikhail, Petsko, Gregory A., Wu, Bin, Choe, Sung, Konteatis, Zenon D., Biller, Scott A., Chodera, John D., Thompson, Craig B., Levine, Ross L., Stein, Eytan M.

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Abstract 4975: A small molecule pan Id protein antagonist shows strong antitumor activity von Wojnarowicz, Paulina M., Desai, Bina, Chin, Yvette, Lee, Sang Bae, Garcia-Cao, Marta, Ouerfelli, Ouathek, Yang, Guangli, Xu, Sijia, Goldgur, Yehuda, Miller, Meredith A., Chaudhary, Jaideep, Garland, William A., Albanese, Steven K., Soni, Rajesh, Philip, John, Norton, Larry, Rosen, Neal, Hendrickson, Ronald C., Zhou, Xi Kathy, Iavarone, Antonio, Dannenberg, Andrew J., Chodera, John D., Pavletich, Nikola, Lasorella, Anna, Benezra, Robert

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A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization von Wojnarowicz, Paulina M., Lima e Silva, Raquel, Ohnaka, Masayuki, Lee, Sang Bae, Chin, Yvette, Kulukian, Anita, Chang, Sung-Hee, Desai, Bina, Garcia Escolano, Marta, Shah, Riddhi, Garcia-Cao, Marta, Xu, Sijia, Kadam, Rashmi, Goldgur, Yehuda, Miller, Meredith A., Ouerfelli, Ouathek, Yang, Guangli, Arakawa, Tsutomu, Albanese, Steven K., Garland, William A., Stoller, Glenn, Chaudhary, Jaideep, Norton, Larry, Soni, Rajesh Kumar, Philip, John, Hendrickson, Ronald C., Iavarone, Antonio, Dannenberg, Andrew J., Chodera, John D., Pavletich, Nikola, Lasorella, Anna, Campochiaro, Peter A., Benezra, Robert

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IRE1A MODULATORS AND USES THEREOF von VERRAS, Andreas, ROMERO, Donna L, KREUTTER, Kevin, KOLDSOE, Heidi, WHITEHEAD, Lewis, ALBANESE, Steven K

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CTPS1 INHIBITORS AND USES THEREOF von VERRAS, Andreas, WEST, Angela V, CAMPOS, Sebastien, KAILA, Neelu, ALBANESE, Steven K, WHITEHEAD, Lewis, DEMARCO, Kevin, KREUTTER, Kevin D

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CTPS1 INHIBITORS AND USES THEREOF von VERRAS, Andreas, WEST, Angela V, CAMPOS, Sebastien, WHITEHEAD, Lewis, ALBANESE, Steven K, KAILA, Neelu, KREUTTER, Kevin D, DEMARCO, Kevin, ROBINSON, Shaughnessy

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HPK1 ANTAGONISTS AND USES THEREOF von WARD, Stuart, KAILA, Neelu, ALBANESE, Steven K, LINNEY, Ian, WHITTAKER, Ben, COTE, Alexandre, GREENWOOD, Jeremy Robert, WISHART, Grant, SEVERANCE, Daniel L, LEFFLER, Abba

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HPK1 ANTAGONISTS AND USES THEREOF von WARD, Stuart, KAILA, Neelu, ALBANESE, Steven K, LINNEY, Ian, WHITTAKER, Ben, COTE, Alexandre, GREENWOOD, Jeremy Robert, WISHART, Grant, SEVERANCE, Daniel L, LEFFLER, Abba

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HETEROCYCLIC COMPOUNDS AND METHODS OF USE von Therrien, Eric, Igawa, Hideyuki, Watts, Karl Shawn, Placzek, Andrew, Houang, Evelyne, Huang, Xianhai, Palomero-Vazquez, Maria Angel, Albanese, Steven, Hirst, Kim Louise, Leffler, Abba Elias, Levinson, Adam Marc, Kim, Byungchan, Gordon, James Alexander

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HPK1 ANTAGONISTS AND USES THEREOF von WARD, Stuart, KAILA, Neelu, ALBANESE, Steven K, LINNEY, Ian, WHITTAKER, Ben, COTE, Alexandre, GREENWOOD, Jeremy Robert, GRIFFITHS, Robert, WISHART, Grant, SEVERANCE, Daniel L, LEFFLER, Abba

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IRE1α MODULATORS AND USES THEREOF von VERRAS, Andreas, ROMERO, Donna L, KREUTTER, Kevin, KOLDSOE, Heidi, WHITEHEAD, Lewis, ALBANESE, Steven K

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