"Ryo Nakayama,Ryota Shimizu,Taishi Haga,Takefumi Kimura,Yasunobu Ando,Shigeru Kobayashi,Nobuaki Yasuo,Masakazu Sekijima,Taro Hitosugi","Tuning of Bayesian optimization for materials synthesis: simulation of the one-dimensional case",,"Science and Technology of Advanced Materials: Methods",,,,,2022,Dec. "Mami Ozawa,Nobuaki Yasuo,Masakazu Sekijima","An Improved Model for Predicting Compound Retrosynthesizability Using Machine Learning",,"2022 IEEE 22nd International Conference on Bioinformatics and Bioengineering (BIBE)",,,,,2022,Nov. "Nurkanto Arif,Riyo Imamura,Yulia Rahmawati,Erwahyuni Endang Prabandari,Danang Waluyo,Takeshi Annoura,Kazuki Yamamoto,Masakazu Sekijima,Yuki Nishimura,Takayoshi Okabe,Tomoo Shiba,Norio Shibata,Hirotatsu Kojima,James Duffy,Tomoyoshi Nozaki","Dephospho-Coenzyme A Kinase Is an Exploitable Drug Target against Plasmodium falciparum: Identification of Selective Inhibitors by High-Throughput Screening of a Large Chemical Compound Library",,"Antimicrobial Agents and Chemotherapy",,,,,2022,Oct. "Junya Tabata,Takashi Nakaoku,Mitsugu Araki,Ryunosuke Yoshino,Shinji Kohsaka,Ayaka Otsuka,Masachika Ikegami,Ayako Ui,Shin-ichiro Kanno,Keiko Miyoshi,Shigeyuki Matsumoto,yukari sagae,Akira Yasui,Masakazu Sekijima,Hiroyuki Mano,Yasushi Okuno,Aikou Okamoto,Takashi Kohno","Novel Calcium-Binding Ablating Mutations Induce Constitutive RET Activity and Drive Tumorigenesis",,"Cancer Research",,"Vol. 82","No. 20","pp. 3751-3762",2022,Oct. "Kazuki Takeda,Kosuke Manago,Ayuko Morita,Yusuke K. Kawai,Nobuaki Yasuo,Masakazu Sekijima,Yoshinori Ikenaka,Takuma Hashimoto,Ryuichi Minato,Yusuke Oyamada,Kazuo Horikoshi,Hajime Suzuki,Mayumi Ishizuka,Shouta M.M. Nakayama","Toxicokinetic analysis of the anticoagulant rodenticides warfarin & diphacinone in Egyptian fruit bats (Rousettus aegyptiacus) as a comparative sensitivity assessment for Bonin fruit bats (Pteropus pselaphon)",,"Ecotoxicology and Environmental Safety",,"Vol. 243",,"pp. 113971",2022,Sept. "Hayato Fujita,Akihiro Nomura,Toshio Endo,Masakazu Sekijima","タンパク質立体構造予測システム AlphaFold の TSUBAME3.0 上での高速化","情報処理学会 第183回ハイパフォーマンスコンピューティング研究発表会","情報処理学会研究報告",,"Vol. 2022-HPC-183","No. 3","pp. 1--7",2022,Mar. "R Prabakaran,Puneet Rawat,Nobuaki Yasuo,Masakazu Sekijima,Sandeep Kumar,Gromiha Michael","Effect of charged mutation on aggregation of a pentapeptide: Insights from molecular dynamics simulations",,"Proteins: Structure, Function, and Bioinformatics",,"Vol. 90","No. 2","pp. 405-417",2022,Feb. "Kazuki Z Yamamoto,NOBUAKI YASUO,Masakazu Sekijima","Screening for Inhibitors of Main Protease in SARS-CoV-2: In Silico and In Vitro Approach Avoiding Peptidyl Secondary Amides",,"Journal of Chemical Information and Modeling",,"Vol. 62","No. 2","pp. 350-358",2022,Jan. "Takayuki Kimura,Nobuaki Yasuo,Masakazu Sekijima,Brooke Lustig","Statistical potentials for RNA-protein interactions optimized by CMA-ES",,"Journal of Molecular Graphics and Modelling",,,,,2022,Jan.