Calculations of the binding free energies of the Comprehensive in vitro Proarrhythmia Assay (CiPA) reference drugs to cardiac ion channels by Tatsuki Negami, Tohru Terada

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Energy landscape of all-atom protein-protein interactions revealed by multiscale enhanced sampling. by Kei Moritsugu, Tohru Terada, Akinori Kidera

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Prediction and analysis of antifreeze proteins by Ryosuke Miyata, Yoshitaka Moriwaki, Tohru Terada, Kentaro Shimizu

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Rapid Heme Transfer Reactions between NEAr Transporter Domains of Staphylococcus aureus: A Theoretical Study Using QM/MM and MD Simulations. by Yoshitaka Moriwaki, Tohru Terada, Kouhei Tsumoto, Kentaro Shimizu

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Electron Transport in a Dioxygenase-Ferredoxin Complex: Long Range Charge Coupling between the Rieske and Non-Heme Iron Center. by Wayne K Dawson, Ryota Jono, Tohru Terada, Kentaro Shimizu

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Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A by Atsushi Yamagata, Kaori Ito, Takehiro Suzuki, Naoshi Dohmae, Tohru Terada, Mikako Shirouzu

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Uptake mechanism of iron-phytosiderophore from the soil based on the structure of yellow stripe transporter by Atsushi Yamagata, Yoshiko Murata, Kosuke Namba, Tohru Terada, Shuya Fukai, Mikako Shirouzu

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Minimum free energy path of ligand-induced transition in adenylate kinase. by Yasuhiro Matsunaga, Hiroshi Fujisaki, Tohru Terada, Tadaomi Furuta, Kei Moritsugu, Akinori Kidera

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Comprehensive computational analysis of the SRK–SP11 molecular interaction underlying self-incompatibility in Brassicaceae using improved structure prediction for cysteine-rich pro... by Tomoki Sawa, Yoshitaka Moriwaki, Hanting Jiang, Kohji Murase, Seiji Takayama, Kentaro Shimizu, Tohru Terada

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Oligomerization mechanisms of an H-NS family protein, Pmr, encoded on the plasmid pCAR1 provide a molecular basis for functions of H-NS family members. by Chiho Suzuki, Kohei Kawazuma, Shoichiro Horita, Tohru Terada, Masaru Tanokura, Kazunori Okada, Hisakazu Yamane, Hideaki Nojiri

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Energetics and conformational pathways of functional rotation in the multidrug transporter AcrB by Yasuhiro Matsunaga, Tsutomu Yamane, Tohru Terada, Kei Moritsugu, Hiroshi Fujisaki, Satoshi Murakami, Mitsunori Ikeguchi, Akinori Kidera

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A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin by Miho Watanabe-Takahashi, Miki Senda, Ryunosuke Yoshino, Masahiro Hibino, Shinichiro Hama, Tohru Terada, Kentaro Shimizu, Toshiya Senda, Kiyotaka Nishikawa

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Highlighting the potential utility of MBP crystallization chaperone for Arabidopsis BIL1/BZR1 transcription factor-DNA complex by Shohei Nosaki, Tohru Terada, Akira Nakamura, Kei Hirabayashi, Yuqun Xu, Thi Bao Chau Bui, Takeshi Nakano, Masaru Tanokura, Takuya Miyakawa

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Identification and modulation of the key amino acid residue responsible for the pH sensitivity of neoculin, a taste-modifying protein. by Ken-ichiro Nakajima, Kanako Yokoyama, Taichi Koizumi, Ayako Koizumi, Tomiko Asakura, Tohru Terada, Katsuyoshi Masuda, Keisuke Ito, Akiko Shimizu-Ibuka, Takumi Misaka, Keiko Abe

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Structural insights into modulation and selectivity of transsynaptic neurexin–LRRTM interaction by Atsushi Yamagata, Sakurako Goto-Ito, Yusuke Sato, Tomoko Shiroshima, Asami Maeda, Masahiko Watanabe, Takashi Saitoh, Katsumi Maenaka, Tohru Terada, Tomoyuki Yoshida, Takeshi Uemura, Shuya Fukai

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Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC–LH1 supercomplex by Peng Cao, Laura Bracun, Atsushi Yamagata, Bern M. Christianson, Tatsuki Negami, Baohua Zou, Tohru Terada, Daniel P. Canniffe, Mikako Shirouzu, Mei Li, Lu-Ning Liu

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NRBP1-Containing CRL2/CRL4A Regulates Amyloid β Production by Targeting BRI2 and BRI3 for Degradation by Takashi Yasukawa, Aya Tsutsui, Chieri Tomomori-Sato, Shigeo Sato, Anita Saraf, Michael P. Washburn, Laurence Florens, Tohru Terada, Kentaro Shimizu, Ronald C. Conaway, Joan W. Conaway, Teijiro Aso

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Structurally-discovered KLF4 variants accelerate and stabilize reprogramming to pluripotency by Evgeniia Borisova, Ken Nishimura, Yuri An, Miho Takami, Jingyue Li, Dan Song, Mami Matsuo-Takasaki, Dorian Luijkx, Shiho Aizawa, Akihiro Kuno, Eiji Sugihara, Taka-aki Sato, Fumiaki Yumoto, Tohru Terada, Koji Hisatake, Yohei Hayashi

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Enhancement of SARS-CoV-2 Infection via Crosslinking of Adjacent Spike Proteins by N-Terminal Domain-Targeting Antibodies by Tina Lusiany, Tohru Terada, Jun-ichi Kishikawa, Mika Hirose, David Virya Chen, Fuminori Sugihara, Hendra Saputra Ismanto, Floris J. van Eerden, Songling Li, Takayuki Kato, Hisashi Arase, Matsuura Yoshiharu, Masato Okada, Daron M. Standley

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Mechanism of self/nonself-discrimination in Brassica self-incompatibility by Kohji Murase, Yoshitaka Moriwaki, Tomoyuki Mori, Xiao Liu, Chiho Masaka, Yoshinobu Takada, Ryoko Maesaki, Masaki Mishima, Sota Fujii, Yoshinori Hirano, Zen Kawabe, Koji Nagata, Tohru Terada, Go Suzuki, Masao Watanabe, Kentaro Shimizu, Toshio Hakoshima, Seiji Takayama

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