Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital method von Otsuka, Takao, Okimoto, Noriaki, Taiji, Makoto

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Metabolic Profiling of Developing Pear Fruits Reveals Dynamic Variation in Primary and Secondary Metabolites, Including Plant Hormones von Oikawa, Akira, Otsuka, Takao, Nakabayashi, Ryo, Jikumaru, Yusuke, Isuzugawa, Kanji, Murayama, Hideki, Saito, Kazuki, Shiratake, Katsuhiro

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Theoretical study on photo-induced processes of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium halide species: an application of constrained density functional theory von Otsuka, Takao, Sumita, Masato, Izawa, Hironori, Morihashi, Kenji

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Intermolecular electron transfer states of 1-methyl-3-(-(1,8-naphthalimidyl)ethyl)imidazolium iodide obtained by constrained density functional theory von Otsuka, Takao, Sumita, Masato, Izawa, Hironori, Morihashi, Kenji

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Discovery of a cystathionine γ-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5′-phosphate (PLP) via Schiff base formation von Echizen, Honami, Hanaoka, Kenjiro, Shimamoto, Kazuhito, Hibi, Ryota, Toma-Fukai, Sachiko, Ohno, Hisashi, Sasaki, Eita, Komatsu, Toru, Ueno, Tasuku, Tsuchiya, Yukihiro, Watanabe, Yasuo, Otsuka, Takao, Saito, Hiroaki, Nagatoishi, Satoru, Tsumoto, Kouhei, Kojima, Hirotatsu, Okabe, Takayoshi, Shimizu, Toshiyuki, Urano, Yasuteru

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Quantum chemical analysis of reaction indices and reaction path for drug molecules von Otsuka, Takao, Okimoto, Noriaki, Saito, Hiroaki, Taiji, Makoto

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Gastrointestinal endoscopy in the era of the acute pandemic of coronavirus disease 2019: Recommendations by Japan Gastroenterological Endoscopy Society (Issued on April 9th, 2020) von Irisawa, Atsushi, Furuta, Takahisa, Matsumoto, Takayuki, Kawai, Takashi, Inaba, Tomoki, Kanno, Atsushi, Katanuma, Akio, Kawahara, Yoshiro, Matsuda, Koji, Mizukami, Kazuhiro, Otsuka, Takao, Yasuda, Ichiro, Tanaka, Shinji, Fujimoto, Kazuma, Fukuda, Shinsaku, Iishi, Hiroyasu, Igarashi, Yoshinori, Inui, Kazuo, Ueki, Toshiharu, Ogata, Haruhiko, Kato, Mototsugu, Shiotani, Akiko, Higuchi, Kazuhide, Fujita, Naotaka, Murakami, Kazunari, Yamamoto, Hironori, Ito, Tohru, Okazaki, Kazuichi, Kitagawa, Yuko, Mine, Tetsuya, Tajiri, Hisao, Inoue, Haruhiro

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Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomolecules von Kobori, Tomoki, Sodeyama, Keitaro, Otsuka, Takao, Tateyama, Yoshitaka, Tsuneyuki, Shinji

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MicroRNA-10b is overexpressed in pancreatic cancer, promotes its invasiveness, and correlates with a poor prognosis von Nakata, Kohei, MD, PhD, Ohuchida, Kenoki, MD, PhD, Mizumoto, Kazuhiro, MD, PhD, Kayashima, Tadashi, MD, Ikenaga, Naoki, MD, PhD, Sakai, Hiroshi, MD, PhD, Lin, Cui, PhD, Fujita, Hayato, MD, PhD, Otsuka, Takao, MD, PhD, Aishima, Shinichi, MD, PhD, Nagai, Eishi, MD, PhD, Oda, Yoshinao, MD, PhD, Tanaka, Masao, MD, PhD, FACS

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BRCAness as a Biomarker for Predicting Prognosis and Response to Anthracycline-Based Adjuvant Chemotherapy for Patients with Triple-Negative Breast Cancer von Mori, Hitomi, Kubo, Makoto, Nishimura, Reiki, Osako, Tomofumi, Arima, Nobuyuki, Okumura, Yasuhiro, Okido, Masayuki, Yamada, Mai, Kai, Masaya, Kishimoto, Junji, Miyazaki, Tetsuyuki, Oda, Yoshinao, Otsuka, Takao, Nakamura, Masafumi

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Use of the Multilayer Fragment Molecular Orbital Method to Predict the Rank Order of Protein–Ligand Binding Affinities: A Case Study Using Tankyrase 2 Inhibitors von Okimoto, Noriaki, Otsuka, Takao, Hirano, Yoshinori, Taiji, Makoto

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Molecular dynamics study on DNA damage by tritium disintegration von Nakamura, Hiroaki, Miyanishi, Hisanori, Yasunaga, Takuo, Fujiwara, Susumu, Mizuguchi, Tomoko, Nakata, Ayako, Miyazaki, Tsuyoshi, Otsuka, Takao, Kenmotsu, Takahiro, Hatano, Yuji, Saito, Shinji

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A quantum chemistry study of Ds-Pa unnatural DNA base pair von Otsuka, Takao, Miyazaki, Tsuyoshi

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Clinical Questions and Answers on Gastrointestinal Endoscopy during the Novel Coronavirus Disease 2019 pandemic von Furuta, Takahisa, Irisawa, Atsushi, Matsumoto, Takayuki, Kawai, Takashi, Inaba, Tomoki, Kanno, Atsushi, Katanuma, Akio, Kawahara, Yoshiro, Matsuda, Koji, Mizukami, Kazuhiro, Otsuka, Takao, Yasuda, Ichiro, Fujishiro, Mitsuhiro, Tanaka, Shinji, Fujimoto, Kazuma, Fukuda, Shinsaku, Iishi, Hiroyasu, Igarashi, Yoshinori, Inui, Kazuo, Ueki, Toshiharu, Ogata, Haruhiko, Kato, Mototsugu, Shiotani, Akiko, Higuchi, Kazuhide, Fujita, Naotaka, Murakami, Kazunari, Yamamoto, Hironori, Ito, Tohru, Okazaki, Kazuichi, Kitagawa, Yuko, Mine, Tetsuya, Tajiri, Hisao, Inoue, Haruhiro

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Time-dependent density functional theory calculations for core-excited states: Assessment of standard exchange-correlation functionals and development of a novel hybrid functional von Nakata, Ayako, Imamura, Yutaka, Otsuka, Takao, Nakai, Hiromi

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Intravenous Immunoglobulin Therapy for Autoantibody-Positive Cerebellar Ataxia von Nanri, Kazunori, Okita, Mitsunori, Takeguchi, Masafumi, Taguchi, Takeshi, Ishiko, Tomoko, Saito, Hirohiko, Otsuka, Takao, Mitoma, Hiroshi, Koizumi, Kiyoshi

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Structural Changes in Tritium-Substituted Polymeric Materials by Beta Decays: A Molecular Dynamics Study von LI, Haolun, FUJIWARA, Susumu, NAKAMURA, Hiroaki, MIZUGUCHI, Tomoko, YASUNAGA, Takuo, OTSUKA, Takao, KENMOTSU, Takahiro, HATANO, Yuji, SAITO, Shinji

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Measurement of Fluoride in Human Urine by Headspace Gas Chromatography-Mass Spectrometer von Tsuda, Yoko, Otsuka, Takao, Tsukahara, Teruomi, Nomiyama, Tetsuo

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Computational strategy for studying structural change of tritium-substituted macromolecules by a beta decay to helium-3 von Fujiwara, Susumu, Nakamura, Hiroaki, Li, Haolun, Miyanishi, Hisanori, Mizuguchi, Tomoko, Yasunaga, Takuo, Otsuka, Takao, Hatano, Yuji, Saito, Shinji

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Application of order-N first-principles DFT calculations with temperature controlled molecular dynamics to biomolecular system von Otsuka, Takao, Taiji, Makoto

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