未登录 Exploiting Solvent Exposed Salt-Bridge Interactions for the Discovery of Potent Inhibitors of SOS1 Using Free-Energy Perturbation Simulations 利用溶剂暴露的盐桥相互作用，使用自由能扰动模拟发现SOS1的有效抑制剂 Leffler, Abba E.; Houang, Evelyne M.; Gray, Felicia; Placzek, Andrew T.; Ruvinsky, Anatoly M.; Bell, Jeffrey A.; Wang, Hui; Sun, Shaoxian; Svensson, Mats; Greenwood, Jeremy R.; Frye, Leah L.; Igawa, Hideyuki; Atsriku, Christian; Levinson, Adam M. 分享 收藏
Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279 一种有效的选择性酪氨酸激酶2抑制剂的发现: TAK-279 Leit, Silvana; Greenwood, Jeremy; Carriero, Samantha; Mondal, Sayan; Abel, Robert; Ashwell, Mark; Blanchette, Heather; Boyles, Nicholas A. A.; Cartwright, Mark; Collis, Alan; Feng, Shulu; Ghanakota, Phani; Harriman, Geraldine C. C.; Hosagrahara, Vinayak; Kaila, Neelu; Kapeller, Rosanna; Rafi, Salma B. B.; Romero, Donna L. L.; Tarantino, Paul M. M.; Timaniya, Jignesh; Toms, Angela V. V.; Wester, Ronald T. T.; Westlin, William; Srivastava, Bhaskar; Miao, Wenyan; Tummino, Peter; McElwee, Joshua J. J.; Edmondson, Scott D. D.; Masse, Craig E. E. 分享 收藏
Inhibition of Acetyl-CoA Carboxylase by Phosphorylation or the Inhibitor ND-654 Suppresses Lipogenesis and Hepatocellular Carcinoma 磷酸化抑制乙酰辅酶a羧化酶或抑制剂ND-654抑制脂肪生成和肝细胞癌 Lally, James S., V; Ghoshal, Sarani; DePeralta, Danielle K.; Moaven, Omeed; Wei, Lan; Masia, Ricard; Erstad, Derek J.; Fujiwara, Naoto; Leong, Vivian; Houde, Vanessa P.; Anagnostopoulos, Alexander E.; Wang, Alice; Broadfield, Lindsay A.; Ford, Rebecca J.; Foster, Robert A.; Bates, Jamie; Sun, Hailing; Wang, Ting; Liu, Henry; Ray, Adrian S.; Saha, Asish K.; Greenwood, Jeremy; Bhat, Sathesh; Harriman, Geraldine; Miao, Wenyan; Rocnik, Jennifer L.; Westlin, William F.; Muti, Paola; Tsakiridis, Theodoros; Harwood, H. James, Jr.; Kapeller, Rosana; Hoshida, Yujin; Tanabe, Kenneth K.; Steinberg, Gregory R.; Fuchs, Bryan C. 分享 收藏
Accelerating drug discovery through tight integration of expert molecular design and predictive scoring Abel, Robert; Mondal, Sayan; Masse, Craig; Greenwood, Jeremy; Harriman, Geraldine; Ashwell, Mark A.; Bhat, Sathesh; Wester, Ronald; Frye, Leah; Kapeller, Rosana; Friesner, Richard A. 分享 收藏
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Inhibition of acetyl-CoA carboxylase suppresses fatty acid synthesis and tumor growth of non-small-cell lung cancer in preclinical models Svensson, Robert U.; Parker, Seth J.; Eichner, Lillian J.; Kolar, Matthew J.; Wallace, Martina; Brun, Sonja N.; Lombardo, Portia S.; Van Nostrand, Jeanine L.; Hutchins, Amanda; Vera, Lilliana; Gerken, Laurie; Greenwood, Jeremy; Bhat, Sathesh; Harriman, Geraldine; Westlin, William F.; Harwood, H. James, Jr.; Saghatelian, Alan; Kapeller, Rosana; Metallo, Christian M.; Shaw, Reuben J. 分享 收藏
Combination therapy with a liver selective acetyl-CoA carboxylase inhibitor ND-654 and sorafenib improves efficacy in the treatment of cirrhotic rats with hepatocellular carcinoma Wei, Lan; Harriman, Geraldine; Ghoshal, Sarani; Moaven, Omeed; Greenwood, Jeremy; Bhat, Sathesh; Westlin, William F.; Harwood, H. James; Kapeller, Rosana; Tanabe, Kenneth K.; Fuchs, Bryan C. 分享 收藏
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WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand-Receptor Docking Murphy, Robert B.; Repasky, Matthew P.; Greenwood, Jeremy R.; Tubert-Brohman, Ivan; Jerome, Steven; Annabhimoju, Ramakrishna; Boyles, Nicholas A.; Schmitz, Christopher D.; Abel, Robert; Farid, Ramy; Friesner, Richard A. 分享 收藏
Acetyl-CoA carboxylase inhibition by ND-630 reduces hepatic steatosis, improves insulin sensitivity, and modulates dyslipidemia in rats Harriman, Geraldine; Greenwood, Jeremy; Bhat, Sathesh; Huang, Xinyi; Wang, Ruiying; Paul, Debamita; Tong, Liang; Saha, Asish K.; Westlin, William F.; Kapeller, Rosana; Harwood, H. James, Jr. 分享 收藏
Liver selective acetyl-CoA carboxylase inhibition by ND-654 improves survival in cirrhotic rats with hepatocellular carcinoma Moaven, Omeed; Wei, Lan; Harriman, Geraldine; Greenwood, Jeremy; Bhat, Sathesh; Westlin, William F.; Harwood, H. James; Kapeller, Rosana; DePeralta, Danielle K.; Tanabe, Kenneth K.; Fuchs, Bryan C. 分享 收藏
LIVER-DIRECTED ALLOSTERIC INHIBITORS OF ACETYL-CoA CARBOXYLASE FAVORABLY IMPACT PATHOPHYSIOLOGY IN THE PROGRESSION FROM NAFLD TO NASH AND HEPATOCELLULAR CARCINOMA, INCLUDING HEPATIC STEATOSIS, INFLAMMATION, AND FIBROSIS Westlin, W. F.; Harwood, H. J.; DePeralta, D. K.; Moaven, O.; Wei, L.; Greenwood, J.; Bhat, S.; Fuchs, B. C.; Kapeller, R.; Harriman, G. 分享 收藏
Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field Wang, Lingle; Wu, Yujie; Deng, Yuqing; Kim, Byungchan; Pierce, Levi; Krilov, Goran; Lupyan, Dmitry; Robinson, Shaughnessy; Dahlgren, Markus K.; Greenwood, Jeremy; Romero, Donna L.; Masse, Craig; Knight, Jennifer L.; Steinbrecher, Thomas; Beuming, Thijs; Damm, Wolfgang; Harder, Ed; Sherman, Woody; Brewer, Mark; Wester, Ron; Murcko, Mark; Frye, Leah; Farid, Ramy; Lin, Teng; Mobley, David L.; Jorgensen, William L.; Berne, Bruce J.; Friesner, Richard A.; Abel, Robert 分享 收藏
Liver selective Acetyl-CoA Carboxylase inhibition by ND-654 decreases hepatocellular carcinoma development in cirrhotic rats DePeralta, Danielle K.; Wei, Lan; Harriman, Geraldine; Greenwood, Jeremy; Bhat, Sathesh; Westlin, William; Harwood, H. James; Kapeller, Rosana; Tanabe, Kenneth K.; Fuchs, Bryan C. 分享 收藏
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Liver Selective Acetyl-CoA Carboxylase Inhibition Inhibits Hepatocellular Carcinoma in a Cirrhosis Model DePeralta, Danielle K.; Wei, Lan; Harriman, Geraldine; Greenwood, Jeremy; Westlin, William F.; Harwood, James; Bhat, Sathesh; Kapeller, Rosana; Fuchs, Bryan C.; Tanabe, Kenneth K. 分享 收藏
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Crystal Structure and Pharmacological Characterization of a Novel N-Methyl-D-aspartate (NMDA) Receptor Antagonist at the GluN1 Glycine Binding Site Kvist, Trine; Steffensen, Thomas Bielefeldt; Greenwood, Jeremy R.; Mehrzad Tabrizi, Fatemeh; Hansen, Kasper B.; Gajhede, Michael; Pickering, Darryl S.; Traynelis, Stephen F.; Kastrup, Jette Sandholm; Braeuner-Osborne, Hans 分享 收藏
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