Polarizable Force Fields:  History, Test Cases, and Prospects von Warshel, Arieh, Kato, Mitsunori, Pisliakov, Andrei V

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Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor von Garcia Fortanet, Jorge, Chen, Christine Hiu-Tung, Chen, Ying-Nan P, Chen, Zhouliang, Deng, Zhan, Firestone, Brant, Fekkes, Peter, Fodor, Michelle, Fortin, Pascal D, Fridrich, Cary, Grunenfelder, Denise, Ho, Samuel, Kang, Zhao B, Karki, Rajesh, Kato, Mitsunori, Keen, Nick, LaBonte, Laura R, Larrow, Jay, Lenoir, Francois, Liu, Gang, Liu, Shumei, Lombardo, Franco, Majumdar, Dyuti, Meyer, Matthew J, Palermo, Mark, Perez, Lawrence, Pu, Minying, Ramsey, Timothy, Sellers, William R, Shultz, Michael D, Stams, Travis, Towler, Christopher, Wang, Ping, Williams, Sarah L, Zhang, Ji-Hu, LaMarche, Matthew J

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The barrier for proton transport in aquaporins as a challenge for electrostatic models: The role of protein relaxation in mutational calculations von Kato, Mitsunori, Pisliakov, Andrei V., Warshel, Arieh

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Treatment of a Desmoid Tumor That Enlarged During Pregnancy: A Case Report and Literature Review von FUJITA, MASAYUKI, YAMAMOTO, MEGUMI, KAIZAKI, YASUHARU, KATO, MITSUNORI, TSUCHIDA, TORU

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Discovery and Characterization of Allosteric WNK Kinase Inhibitors von Yamada, Ken, Zhang, Ji-Hu, Xie, Xiaoling, Reinhardt, Juergen, Xie, Amy Qiongshu, LaSala, Daniel, Kohls, Darcy, Yowe, David, Burdick, Debra, Yoshisue, Hajime, Wakai, Hiromichi, Schmidt, Isabel, Gunawan, Jason, Yasoshima, Kayo, Yue, Q. Kimberley, Kato, Mitsunori, Mogi, Muneto, Idamakanti, Neeraja, Kreder, Natasha, Drueckes, Peter, Pandey, Pramod, Kawanami, Toshio, Huang, Waanjeng, Yagi, Yukiko I, Deng, Zhan, Park, Hyi-Man

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What Are the Roles of Substrate-Assisted Catalysis and Proximity Effects in Peptide Bond Formation by the Ribosome? von Sharma, Pankaz K, Xiang, Yun, Kato, Mitsunori, Warshel, Arieh

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Apparent NAC Effect in Chorismate Mutase Reflects Electrostatic Transition State Stabilization von Štrajbl, Marek, Shurki, Avital, Kato, Mitsunori, Warshel, Arieh

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Human Carboxymethylenebutenolidase as a Bioactivating Hydrolase of Olmesartan Medoxomil in Liver and Intestine von Ishizuka, Tomoko, Fujimori, Izumi, Kato, Mitsunori, Noji-Sakikawa, Chisa, Saito, Motoko, Yoshigae, Yasushi, Kubota, Kazuishi, Kurihara, Atsushi, Izumi, Takashi, Ikeda, Toshihiko, Okazaki, Osamu

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Exploring the origin of the ion selectivity of the KcsA potassium channel von Burykin, Anton, Kato, Mitsunori, Warshel, Arieh

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Design and synthesis of lactam–thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors von Barnes-Seeman, David, Boiselle, Carri, Capacci-Daniel, Christina, Chopra, Rajiv, Hoffmaster, Keith, Jones, Christopher T., Kato, Mitsunori, Lin, Kai, Ma, Sue, Pan, Guoyu, Shu, Lei, Wang, Jianling, Whiteman, Leah, Xu, Mei, Zheng, Rui, Fu, Jiping

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Relativistic configuration interaction and coupled cluster methods using four-component spinors: Magnetic shielding constants of HX and CH3X (X = F, Cl, Br, I) von Kato, Mitsunori, Hada, Masahiko, Fukuda, Ryoichi, Nakatsuji, Hiroshi

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Modeling electrostatic effects in proteins von Warshel, Arieh, Sharma, Pankaz K., Kato, Mitsunori, Parson, William W.

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Using a Charging Coordinate in Studies of Ionization Induced Partial Unfolding von Kato, Mitsunori, Warshel, Arieh

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Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer von LaMarche, Matthew J, Acker, Michael, Argintaru, Andreea, Bauer, Daniel, Boisclair, Julie, Chan, Homan, Chen, Christine Hiu-Tung, Chen, Ying-Nan, Chen, Zhouliang, Deng, Zhan, Dore, Michael, Dunstan, David, Fan, Jianmei, Fekkes, Peter, Firestone, Brant, Fodor, Michelle, Garcia-Fortanet, Jorge, Fortin, Pascal D, Fridrich, Cary, Giraldes, John, Glick, Meir, Grunenfelder, Denise, Hao, Huia-Xiang, Hentemann, Martin, Ho, Samuel, Jouk, Andriana, Kang, Zhao B, Karki, Rajesh, Kato, Mitsunori, Keen, Nick, Koenig, Robert, LaBonte, Laura R, Larrow, Jay, Liu, Gang, Liu, Shumei, Majumdar, Dyuti, Mathieu, Simon, Meyer, Matthew J, Mohseni, Morvarid, Ntaganda, Rukundo, Palermo, Mark, Perez, Lawrence, Pu, Minying, Ramsey, Timothy, Reilly, John, Sarver, Patrick, Sellers, William R, Sendzik, Martin, Shultz, Michael D, Slisz, Joanna, Slocum, Kelly, Smith, Troy, Spence, Stanley, Stams, Travis, Straub, Christopher, Tamez, Victoriano, Toure, Bakary-Barry, Towler, Christopher, Wang, Ping, Wang, Hongyun, Williams, Sarah L, Yang, Fan, Yu, Bing, Zhang, Ji-Hu, Zhu, Suzanne

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Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases von Chen, Ying-Nan P., LaMarche, Matthew J., Chan, Ho Man, Fekkes, Peter, Garcia-Fortanet, Jorge, Acker, Michael G., Antonakos, Brandon, Chen, Christine Hiu-Tung, Chen, Zhouliang, Cooke, Vesselina G., Dobson, Jason R., Deng, Zhan, Fei, Feng, Firestone, Brant, Fodor, Michelle, Fridrich, Cary, Gao, Hui, Grunenfelder, Denise, Hao, Huai-Xiang, Jacob, Jaison, Ho, Samuel, Hsiao, Kathy, Kang, Zhao B., Karki, Rajesh, Kato, Mitsunori, Larrow, Jay, La Bonte, Laura R., Lenoir, Francois, Liu, Gang, Liu, Shumei, Majumdar, Dyuti, Meyer, Matthew J., Palermo, Mark, Perez, Lawrence, Pu, Minying, Price, Edmund, Quinn, Christopher, Shakya, Subarna, Shultz, Michael D., Slisz, Joanna, Venkatesan, Kavitha, Wang, Ping, Warmuth, Markus, Williams, Sarah, Yang, Guizhi, Yuan, Jing, Zhang, Ji-Hu, Zhu, Ping, Ramsey, Timothy, Keen, Nicholas J., Sellers, William R., Stams, Travis, Fortin, Pascal D.

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Treatment of a Desmoid Tumor That Enlarged During Pregnancy: A Case Report and Literature Review von FUJITA, MASAYUKI, YAMAMOTO, MEGUMI, KAIZAKI, YASUHARU, KATO, MITSUNORI, TSUCHIDA, TORU

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Electrostatic Basis for Enzyme Catalysis von Warshel, Arieh, Sharma, Pankaz K, Kato, Mitsunori, Xiang, Yun, Liu, Hanbin, Olsson, Mats H. M

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In Silico Enabled Discovery of KAI-11101, a Preclinical DLK Inhibitor for the Treatment of Neurodegenerative Disease and Neuronal Injury von Lagiakos, H Rachel, Zou, Yefen, Igawa, Hideyuki, Therrien, Eric, Lawrenz, Morgan, Kato, Mitsunori, Svensson, Mats, Gray, Felicia, Jensen, Kristian, Dahlgren, Markus K, Pelletier, Robert D, Dingley, Karen, Bell, Jeffrey A, Liu, Zhijian, Jiang, Yuansong, Zhou, Hua, Skene, Robert J, Nie, Zhe

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6‑Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors von Sarver, Patrick, Acker, Michael, Bagdanoff, Jeffrey T, Chen, Zhouliang, Chen, Ying-Nan, Chan, Homan, Firestone, Brant, Fodor, Michelle, Fortanet, Jorge, Hao, Huaixiang, Hentemann, Murphy, Kato, Mitsunori, Koenig, Robert, LaBonte, Laura R, Liu, Gang, Liu, Shumei, Liu, Chen, McNeill, Eric, Mohseni, Morvarid, Sendzik, Martin, Stams, Travis, Spence, Stan, Tamez, Victoriano, Tichkule, Ritesh, Towler, Christopher, Wang, Hongyun, Wang, Ping, Williams, Sarah L, Yu, Bing, LaMarche, Matthew J

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Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors von Bagdanoff, Jeffrey T, Chen, Zhouliang, Acker, Michael, Chen, Ying-Nan, Chan, Homan, Dore, Michael, Firestone, Brant, Fodor, Michelle, Fortanet, Jorge, Hentemann, Murphy, Kato, Mitsunori, Koenig, Robert, LaBonte, Laura R, Liu, Shumei, Mohseni, Movarid, Ntaganda, Rukundo, Sarver, Patrick, Smith, Troy, Sendzik, Martin, Stams, Travis, Spence, Stan, Towler, Christopher, Wang, Hongyun, Wang, Ping, Williams, Sarah L, LaMarche, Matthew J

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