@article{CTT100904045, author = {Han Xu and Ryo Nakayama and Takefumi Kimura and Ryota Shimizu and Yasunobu Ando and Shigeru Kobayashi and Nobuaki Yasuo and Masakazu Sekijima and Taro Hitosugi}, title = {Tuning Bayesian optimization for materials synthesis: simulating two- and three-dimensional cases}, journal = {Science and Technology of Advanced Materials: Methods}, year = 2023, } @article{CTT100904046, author = {Daiki Erikawa and Nobuaki Yasuo and Takamasa Suzuki and Shogo Nakamura and Masakazu Sekijima}, title = {Gargoyles: An Open Source Graph-Based Molecular Optimization Method Based on Deep Reinforcement Learning}, journal = {ACS Omega}, year = 2023, } @article{CTT100904047, author = {Ryo Nakayama and Ryota Shimizu and Taishi Haga and Takefumi Kimura and Yasunobu Ando and Shigeru Kobayashi and Nobuaki Yasuo and Masakazu Sekijima and Taro Hitosugi}, title = {Tuning of Bayesian optimization for materials synthesis: simulation of the one-dimensional case}, journal = {Science and Technology of Advanced Materials: Methods}, year = 2022, } @article{CTT100904048, author = {Nurkanto Arif and Riyo Imamura and Yulia Rahmawati and Erwahyuni Endang Prabandari and Danang Waluyo and Takeshi Annoura and Kazuki Yamamoto and Masakazu Sekijima and Yuki Nishimura and Takayoshi Okabe and Tomoo Shiba and Norio Shibata and Hirotatsu Kojima and James Duffy and Tomoyoshi Nozaki}, title = {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}, journal = {Antimicrobial Agents and Chemotherapy}, year = 2022, } @article{CTT100904085, author = {Junya Tabata and Takashi Nakaoku and Mitsugu Araki and Ryunosuke Yoshino and Shinji Kohsaka and Ayaka Otsuka and Masachika Ikegami and Ayako Ui and Shin-ichiro Kanno and Keiko Miyoshi and Shigeyuki Matsumoto and yukari sagae and Akira Yasui and Masakazu Sekijima and Hiroyuki Mano and Yasushi Okuno and Aikou Okamoto and Takashi Kohno}, title = {Novel Calcium-Binding Ablating Mutations Induce Constitutive RET Activity and Drive Tumorigenesis}, journal = {Cancer Research}, year = 2022, } @article{CTT100904086, author = {Kazuki Takeda and Kosuke Manago and Ayuko Morita and Yusuke K. Kawai and Nobuaki Yasuo and Masakazu Sekijima and Yoshinori Ikenaka and Takuma Hashimoto and Ryuichi Minato and Yusuke Oyamada and Kazuo Horikoshi and Hajime Suzuki and Mayumi Ishizuka and Shouta M.M. Nakayama}, title = {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)}, journal = {Ecotoxicology and Environmental Safety}, year = 2022, } @article{CTT100904088, author = {R Prabakaran and Puneet Rawat and Nobuaki Yasuo and Masakazu Sekijima and Sandeep Kumar and Gromiha Michael}, title = {Effect of charged mutation on aggregation of a pentapeptide: Insights from molecular dynamics simulations}, journal = {Proteins: Structure, Function, and Bioinformatics}, year = 2022, } @article{CTT100904049, author = {Kazuki Z Yamamoto and NOBUAKI YASUO and Masakazu Sekijima}, title = {Screening for Inhibitors of Main Protease in SARS-CoV-2: In Silico and In Vitro Approach Avoiding Peptidyl Secondary Amides}, journal = {Journal of Chemical Information and Modeling}, year = 2022, } @article{CTT100904050, author = {Takayuki Kimura and Nobuaki Yasuo and Masakazu Sekijima and Brooke Lustig}, title = {Statistical potentials for RNA-protein interactions optimized by CMA-ES}, journal = {Journal of Molecular Graphics and Modelling}, year = 2022, } @article{CTT100904051, author = {Masakazu Sekijima and Masakazu Sekijima}, title = {MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning}, journal = {Journal of Cheminformatics}, year = 2021, } @article{CTT100876904, author = {Nobuaki Yasuo and Takashi Ishida and Masakazu Sekijima}, title = {Computer aided drug discovery review for infectious diseases with case study of anti-Chagas project}, journal = {}, year = 2021, } @article{CTT100904052, author = {Nobuaki Yasuo and Takashi Ishida and Masakazu Sekijima}, title = {Computer aided drug discovery review for infectious diseases with case study of anti-Chagas project}, journal = {Parasitology International}, year = 2021, } @article{CTT100904053, author = {Rajib Acharjee and Keith Talaam and Endah D. Hartuti and Yuichi Matsuo and Takaya Sakura and Bundutidi M. Gloria and Shinya Hidano and Yasutoshi KIDO and Mihoko Mori and Kazuro Shiomi and Masakazu Sekijima and Tomoyoshi Nozaki and Kousuke Umeda and yoshifumi nishikawa and Shinjiro Hamano and Kiyoshi Kita and Daniel Ken INAOKA}, title = {Biochemical Studies of Mitochondrial Malate: Quinone Oxidoreductase from Toxoplasma gondii}, journal = {International Journal of Molecular Sciences}, year = 2021, } @article{CTT100904054, author = {Masakazu Sekijima}, title = {Tackling Covid‐19 using disordered‐to‐order transition of residues in the spike protein upon angiotensin‐converting enzyme 2 binding}, journal = {Proteins: Structure, Function, and Bioinformatics}, year = 2021, } @article{CTT100891505, author = {Masakazu Sekijima}, title = {Identification of key interactions between SARS-CoV-2 main protease and inhibitor drug candidates}, journal = {Scientific Reports}, year = 2020, } @article{CTT100904055, author = {Masakazu Sekijima}, title = {Identification of key interactions between SARS-CoV-2 main protease and inhibitor drug candidates}, journal = {Scientific Reports}, year = 2020, } @article{CTT100904056, author = {Yu Miyazaki and Ryo Nakayama and Nobuaki Yasuo and Yuki Watanabe and Ryota Shimizu and Daniel M. Packwood and Kazunori Nishio and Yasunobu Ando and Masakazu Sekijima and Taro Hitosugi}, title = {Bayesian statistics-based analysis of AC impedance spectra}, journal = {AIP Advances}, year = 2020, } @article{CTT100904057, author = {Misa Sayama and Akiharu Uwamizu and Yuko Otani and Asuka Inoue and Junken Aoki and Masakazu Sekijima and Tomohiko Ohwada}, title = {Membrane Phospholipid Analogues as Molecular Rulers to Probe the Position of the Hydrophobic Contact Point of Lysophospholipid Ligands on the Surface of G-Protein-Coupled Receptor during Membrane Approach}, journal = {Biochemistry}, year = 2020, } @article{CTT100810746, author = {Shuntaro Chiba and Masahito Ohue and Anastasiia Gryniukova and Petro Borysko and Sergey Zozulya and Nobuaki Yasuo and Ryunosuke Yoshino and Kazuyoshi Ikeda and Woong-Hee Shin and Daisuke Kihara and Mitsuo Iwadate and Hideaki Umeyama and Takaaki Ichikawa and Reiji Teramoto and Kun-Yi Hsin and Vipul Gupta and Hiroaki Kitano and Mika Sakamoto and Akiko Higuchi and Nobuaki Miura and Kei Yura and Masahiro Mochizuki and Chandrasekaran Ramakrishnan and A. Mary Thangakani and D. Velmurugan and M. Michael Gromiha and Itsuo Nakane and Nanako Uchida and Hayase Hakariya and Modong Tan and Hironori Nakamura and Shogo Suzuki and Tomoki Ito and Masahiro Kawatani and Kentaroh Kudoh and Sakurako Takashina and Kazuki Yamamoto and Yoshitaka Moriwaki and Keita Oda and Daisuke Kobayashi and Tatsuya Okuno and Shintaro Minami and George Chikenji and Philip Prathipati and Chioko Nagao and Attayeb Mohsen and Mari Ito and Kenji Mizuguchi and Teruki Honma and Takashi Ishida and Takatsugu Hirokawa and Yutaka Akiyama and Masakazu Sekijima.}, title = {A prospective compound screening contest identified broader inhibitors for Sirtuin 1}, journal = {Scientific Reports}, year = 2019, } @article{CTT100904059, author = {Masakazu Sekijima}, title = {Molecular Dynamics Simulation reveals the mechanism by which the Influenza Cap-dependent Endonuclease acquires resistance against Baloxavir marboxil}, journal = {Scientific Reports}, year = 2019, } @article{CTT100904058, author = {Masakazu Sekijima}, title = {A prospective compound screening contest identified broader inhibitors for Sirtuin 1}, journal = {Scientific Reports}, year = 2019, } @article{CTT100813782, author = {Ryunosuke Yoshino and Nobuaki Yasuo and Masakazu Sekijima}, title = {Molecular Dynamics Simulation reveals the mechanism by which the Influenza Cap-dependent Endonuclease acquires resistance against Baloxavir marboxil}, journal = {Scientific Reports}, year = 2019, } @article{CTT100813783, author = {Sherlyn Jemimah and Masakazu Sekijima and Michael Gromiha}, title = {ProAffiMuSeq: sequence-based method to predict the binding free energy change of protein–protein complexes upon mutation using functional classification}, journal = {Bioinformatics}, year = 2019, } @article{CTT100904060, author = {Masakazu Sekijima}, title = {ProAffiMuSeq: sequence-based method to predict the binding free energy change of protein–protein complexes upon mutation using functional classification}, journal = {Bioinformatics}, year = 2019, } @article{CTT100808551, author = {Shintaro Sengoku and Masakazu Sekijima and Koichiro Iha and Reiko Onodera}, title = {AI/ビッグデータ,ICT と医薬品 ─ 知財・標準の側面から}, journal = {仙石慎太郎, 関嶋政和, 伊波興一朗, 小野寺玲子}, year = 2019, } @article{CTT100813768, author = {Nobuaki Yasuo and Masakazu Sekijima}, title = {Improved Method of Structure-Based Virtual Screening via Interaction-Energy-Based Learning}, journal = {Journal of Chemical Information and Modeling}, year = 2019, } @article{CTT100904061, author = {Nobuaki Yasuo and Masakazu Sekijima}, title = {Improved Method of Structure-Based Virtual Screening via Interaction-Energy-Based Learning}, journal = {Journal of Chemical Information and Modeling}, year = 2019, } @article{CTT100904062, author = {Nobuaki Yasuo and Yusuke Nakashima and Masakazu Sekijima}, title = {CoDe-DTI: Collaborative Deep Learning-based Drug-Target Interaction Prediction}, journal = {2018 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)}, year = 2018, } @article{CTT100813769, author = {Masakazu Sekijima}, title = {CoDe-DTI: Collaborative Deep Learning-based Drug-Target Interaction Prediction}, journal = {}, year = 2018, } @article{CTT100783049, author = {Wakui, N. and Yoshino, R. and Yasuo, N. and Ohue, M. and Sekijima, M.}, title = {Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach}, journal = {Journal of Molecular Graphics and Modelling}, year = 2018, } @article{CTT100766874, author = {Ramakrishnan C and Thangakani AM and Velmurugan D and Krishnan DA and Sekijima M and Akiyama Y and Gromiha MM.}, title = {Identification of type I and type II inhibitors of c-Yes kinase using in silico and experimental techniques}, journal = {Journal of Biomolecular Structure and Dynamics}, year = 2018, } @article{CTT100904063, author = {Wakui N and Yoshino R and Yasuo N and Ohue M and Sekijima M}, title = {Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach.}, journal = {Journal of molecular graphics & modelling}, year = 2017, } @article{CTT100766244, author = {Shuntaro Chiba and Takashi Ishida and Kazuyoshi Ikeda and Masahiro Mochizuki and Reiji Teramoto and Y-h. Taguchi and Mitsuo Iwadate and Hideaki Umeyama and Chandrasekaran Ramakrishnan and A. Mary Thangakani and D. Velmurugan and M. Michael Gromiha and Tatsuya Okuno and Koya Kato and Shintaro Minami and George Chikenji and Shogo D. Suzuki and Keisuke Yanagisawa and Woong-Hee Shin and Daisuke Kihara and Kazuki Z. Yamamoto and Yoshitaka Moriwaki and Nobuaki Yasuo and Ryunosuke Yoshino and Sergey Zozulya and Petro Borysko and Roman Stavniichuk and Teruki Honma and Takatsugu Hirokawa and Yutaka Akiyama and Masakazu Sekijima}, title = {An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes}, journal = {Scientific Reports}, year = 2017, } @article{CTT100904064, author = {Masakazu Sekijima}, title = {In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease.}, journal = {Scientific reports}, year = 2017, } @article{CTT100766242, author = {Ryunosuke Yoshino and Nobuaki Yasuo and Yohsuke Hagiwara and Takashi Ishida and Daniel Ken Inaoka and Yasushi Amano and Yukihiro Tateishi and Kazuki Ohno and Ichiji Namatame and Tatsuya Niimi and Masaya Orita and Kiyoshi Kita and Yutaka Akiyama and Masakazu Sekijima}, title = {In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease}, journal = {Scientific Reports}, year = 2017, } @article{CTT100756184, author = {Masakazu Sekijima}, title = {In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease.}, journal = {Scientific reports}, year = 2017, } @article{CTT100904065, author = {Masakazu Sekijima}, title = {Identification of type I and type II inhibitors of c-Yes kinase using in silico and experimental techniques.}, journal = {Journal of biomolecular structure & dynamics}, year = 2017, } @article{CTT100709036, author = {Shuntaro Chiba and Kazuyoshi Ikeda and Takashi Ishida and M. Michael Gromiha and Y-h. Taguchi and Mitsuo Iwadate and Hideaki Umeyama and Kun-Yi Hsin and Hiroaki Kitano and Kazuki Yamamoto and Nobuyoshi Sugaya and Koya Kato and Tatsuya Okuno and George Chikenji and Masahiro Mochizuki and Nobuaki Yasuo and Ryunosuke Yoshino and Keisuke Yanagisawa and Tomohiro Ban and Reiji Teramoto and Chandrasekaran Ramakrishnan and A. Mary Thangakani and D. Velmurugan and Philip Prathipati and Junichi Ito and Yuko Tsuchiya and Kenji Mizuguchi and Teruki Honma and Takatsugu Hirokawa and Yutaka Akiyama and Masakazu Sekijima}, title = {Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target}, journal = {Scientific Reports}, year = 2015, } @article{CTT100709056, author = {Ryunosuke Yoshino and Nobuaki Yasuo and Daniel Ken Inaoka and Yohsuke Hagiwara and Kazuki Ohno and Masaya Orita and Masayuki Inoue and Tomoo Shiba and Shigeharu Harada and Teruki Honma and Emmanuel Oluwadare Balogun and Josmar Rodrigues da Rocha and Carlos Alberto Montanari and Kiyoshi Kita and Masakazu Sekijima}, title = {Pharmacophore Modeling for Anti-Chagas Drug Design Using the Fragment Molecular Orbital Method}, journal = {PLOS ONE}, year = 2015, } @article{CTT100904068, author = {Nagarajan R and Chothani SP and Ramakrishnan C and Sekijima M and Gromiha MM}, title = {Structure based approach for understanding organism specific recognition of protein-RNA complexes.}, journal = {}, year = 2015, } @article{CTT100813770, author = {Nagarajan R and Chothani SP and Ramakrishnan C and Sekijima M and Gromiha MM}, title = {Structure based approach for understanding organism specific recognition of protein-RNA complexes.}, journal = {}, year = 2015, } @article{CTT100904067, author = {Yoshino R and Yasuo N and Inaoka DK and Hagiwara Y and Ohno K and Orita M and Inoue M and Shiba T and Harada S and Honma T and Balogun EO and da Rocha JR and Montanari CA and Kita K and Sekijima M}, title = {Pharmacophore modeling for anti-Chagas drug design using the fragment molecular orbital method.}, journal = {}, year = 2015, } @article{CTT100904066, author = {Chiba S and Ikeda K and Ishida T and Gromiha MM and Taguchi YH and Iwadate M and Umeyama H and Hsin KY and Kitano H and Yamamoto K and Sugaya N and Kato K and Okuno T and Chikenji G and Mochizuki M and Yasuo N and Yoshino R and Yanagisawa K and Ban T and Teramoto R and Masakazu Sekijima}, title = {Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target.}, journal = {}, year = 2015, } @article{CTT100665992, author = {Hagiwara Y and Ohno K and Orita M and Koga R and Endo T and Akiyama Y and Sekijima M.}, title = {Accelerating quantum chemistry calculations with graphical processing units - toward in high-density (HD) silico drug discovery}, journal = {Curr Comput Aided Drug Des. 2013}, year = 2013, } @article{CTT100904069, author = {Hagiwara Y and Ohno K and Orita M and Koga R and Endo T and Akiyama Y and Sekijima M}, title = {Accelerating quantum chemistry calculations with graphical processing units - toward in high-density (HD) silico drug discovery.}, journal = {}, year = 2013, } @article{CTT100813771, author = {Hagiwara Y and Ohno K and Orita M and Koga R and Endo T and Akiyama Y and Sekijima M}, title = {Accelerating quantum chemistry calculations with graphical processing units - toward in high-density (HD) silico drug discovery.}, journal = {}, year = 2013, } @article{CTT100904070, author = {Takano R and Kiso M and Igarashi M and Le QM and Sekijima M and Ito K and Takada A and Kawaoka Y}, title = {Molecular mechanisms underlying oseltamivir resistance mediated by an I117V substitution in the neuraminidase of subtype H5N1 avian influenza A viruses.}, journal = {}, year = 2013, } @article{CTT100645023, author = {Ryo Takano and Maki Kiso and Manabu Igarashi and Quynh Mai Le and Masakazu Sekijima and Ito Kimihito and Ayato Takada and Yoshihiro Kawaoka}, title = {Molecular mechanisms underlying oseltamivir resistance mediated by an I117V substitution in the NA of H5N1 avian influenza viruses}, journal = {Journal of Infectious Diseases}, year = 2012, } @article{CTT100904071, author = {Saito S and Ohno K and Sekijima M and Suzuki T and Sakuraba H}, title = {Database of the clinical phenotypes, genotypes and mutant arylsulfatase B structures in mucopolysaccharidosis type VI.}, journal = {}, year = 2012, } @article{CTT100813772, author = {Saito S and Ohno K and Sekijima M and Suzuki T and Sakuraba H}, title = {Database of the clinical phenotypes, genotypes and mutant arylsulfatase B structures in mucopolysaccharidosis type VI.}, journal = {}, year = 2012, } @article{CTT100644292, author = {Seiji Saito and Kazuki Ohno and Masakazu Sekijima and Toshihiro Suzuki and Hitoshi Sakuraba}, title = {Database of the clinical phenotypes, genotypes and mutant arylsulfatase B structures in mucopolysaccharidosis type VI}, journal = {Journal of Human Genetics}, year = 2012, } @article{CTT100633650, author = {Takahiro Shinozaki and Toshinao Iwaki and Shiqiao Du and Masakazu Sekijima and Sadaoki Furui}, title = {Distance-based factor graph linearization and sampled max-sum algorithm for efficient 3D potential decoding of macromolecules}, journal = {IPSJ Transaction on Bioinformatics}, year = 2011, } @article{CTT100625471, author = {Mayumi Kamada and Mikito Toda and Masakazu Sekijima and Masami Takata and Kazuki Joe}, title = {Analysis of motion features for molecular dynamics simulation of proteins}, journal = {Chemical Physics Letters}, year = 2011, } @article{CTT100904072, author = {Sugawara K and Saito S and Sekijima M and Ohno K and Tajima Y and Kroos MA and Reuser AJ and Sakuraba H}, title = {Structural modeling of mutant alpha-glucosidases resulting in a processing/transport defect in Pompe disease.}, journal = {}, year = 2009, } @article{CTT100813773, author = {Sugawara K and Saito S and Sekijima M and Ohno K and Tajima Y and Kroos MA and Reuser AJ and Sakuraba H}, title = {Structural modeling of mutant alpha-glucosidases resulting in a processing/transport defect in Pompe disease.}, journal = {}, year = 2009, } @article{CTT100813774, author = {Honda S and Akiba T and Kato YS and Sawada Y and Sekijima M and Ishimura M and Ooishi A and Watanabe H and Odahara T and Harata K}, title = {Crystal structure of a ten-amino acid protein.}, journal = {}, year = 2008, } @article{CTT100904073, author = {Honda S and Akiba T and Kato YS and Sawada Y and Sekijima M and Ishimura M and Ooishi A and Watanabe H and Odahara T and Harata K}, title = {Crystal structure of a ten-amino acid protein.}, journal = {}, year = 2008, } @article{CTT100904074, author = {Sekijima M and Motono C and Yamasaki S and Kaneko K and Akiyama Y}, title = {Molecular dynamics simulation of dimeric and monomeric forms of human prion protein: insight into dynamics and properties.}, journal = {}, year = 2003, } @article{CTT100813775, author = {Sekijima M and Motono C and Yamasaki S and Kaneko K and Akiyama Y}, title = {Molecular dynamics simulation of dimeric and monomeric forms of human prion protein: insight into dynamics and properties.}, journal = {}, year = 2003, } @inproceedings{CTT100904083, author = {Mami Ozawa and Nobuaki Yasuo and Masakazu Sekijima}, title = {An Improved Model for Predicting Compound Retrosynthesizability Using Machine Learning}, booktitle = {2022 IEEE 22nd International Conference on Bioinformatics and Bioengineering (BIBE)}, year = 2022, } @inproceedings{CTT100869007, author = {Hayato Fujita and Akihiro Nomura and Toshio Endo and Masakazu Sekijima}, title = {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}, booktitle = {情報処理学会研究報告}, year = 2022, } @inproceedings{CTT100846498, author = {中山 亮 and Ryota Shimizu and Taishi Haga and Takefumi Kimura and 安藤 康伸 and Nobuaki Yasuo and Masakazu Sekijima and Taro Hitosugi}, title = {物質合成に適したベイズ最適化のハイパーパラメータの探索}, booktitle = {}, year = 2021, } @inproceedings{CTT100851779, author = {千葉 真人 and Masami Sako and Yoshihiro Hayashi and SHINJI ANDO and Nobuaki Yasuo and Masakazu Sekijima and Susumu Kawauchi}, title = {量子化学計算と機械学習による有機高分子の屈折率予測}, booktitle = {高分子学会予稿集}, year = 2020, } @inproceedings{CTT100837745, author = {Masami Sako and 千葉 真人 and Nobuaki Yasuo and 渡部 一貴 and 瀧本 啓人 and Taro Hitosugi and Masakazu Sekijima}, title = {Pb-free perovskite 化合物の bandgap 予測と合成結果}, booktitle = {}, year = 2020, } @inproceedings{CTT100818236, author = {中山 亮 and Yu Miyazaki and Nobuaki Yasuo and Yuki Watanabe and Ryota Shimizu and Kazunori Nishio and 安藤 康伸 and Masakazu Sekijima and Taro Hitosugi}, title = {ベイズ統計に基づいた単純な電気化学素子のインピーダンススペクトル解析}, booktitle = {}, year = 2020, } @inproceedings{CTT100793318, author = {Yu Miyazaki and Nobuaki Yasuo and Yuki Watanabe and 中山 亮 and Ryota Shimizu and Kazunori Nishio and 安藤 康伸 and Masakazu Sekijima and Taro Hitosugi}, title = {ベイズ統計を用いた客観的な電気化学インピーダンススペクトル解析}, booktitle = {}, year = 2019, } @inproceedings{CTT100793334, author = {Yu Miyazaki and Nobuaki Yasuo and Yuki Watanabe and 中山 亮 and Ryota Shimizu and Kazunori Nishio and 安藤 康伸 and Masakazu Sekijima and Taro Hitosugi}, title = {ベイズ推定を用いた客観的な電気化学インピーダンス解析}, booktitle = {}, year = 2019, } @inproceedings{CTT100783054, author = {Naoki Wakui and Ryunosuke Yoshino and Nobuaki Yasuo and Masahito Ohue and Masakazu Sekijima}, title = {Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: a molecular dynamics simiulation approach}, booktitle = {}, year = 2017, } @inproceedings{CTT100754255, author = {Takahiro Shinozaki and Masakazu Sekijima}, title = {SCMS2.0によるタンパク質ポテンシャルエネルギー最小化の諸条件における評価}, booktitle = {}, year = 2014, } @inproceedings{CTT100669689, author = {Norikazu Sugiura and Takashi Ishida and Yutaka Akiyama and Masakazu Sekijima}, title = {de Bruijn Graphの分割によるVelvetの消費メモリの低減}, booktitle = {情報処理学会研究報告}, year = 2013, } @inproceedings{CTT100669693, author = {Shunsuke Yoshikawa and Takashi Ishida and Masakazu Sekijima and Yutaka Akiyama}, title = {Sparse k-mer graphアルゴリズムの評価とVelvetへの実装}, booktitle = {情報処理学会研究報告}, year = 2013, } @inproceedings{CTT100669695, author = {Yuuki Saitou and Takashi Ishida and Masakazu Sekijima and Yutaka Akiyama}, title = {結合自由エネルギー予測を用いたクリアランス経路予測の改善に関する研究}, booktitle = {情報処理学会研究報告}, year = 2013, } @inproceedings{CTT100640046, author = {Sugiura Norikazu and Ishida Takashi and Sekijima Masakazu and Akiyama Yutaka}, title = {De novo sequence assembly based on divided hash tables}, booktitle = {IPSJ SIG Technical Report}, year = 2012, } @inproceedings{CTT100634916, author = {Naoto Inose and Takahiro Shinozaki and Shiqiao Du and Sadaoki Furui and Masakazu Sekijima}, title = {A study on the potential energy minimization of proteins by Slice Chain Max-Sum algorithm}, booktitle = {}, year = 2012, } @inproceedings{CTT100634211, author = {Takaaki Sasaki and Masakazu Sekijima}, title = {Development of Protein Ligand Binding Site Prediction System by Dynamics of Water Molecules}, booktitle = {Biophysical Society 56th Annual Meeting Program}, year = 2012, } @inproceedings{CTT100645019, author = {N. Inose and T. Shinozaki and S. Du and S. Furui and M. Sekijima}, title = {Protein Potential Energy Minimization Using Slice Chain Max-Sum Algorithm}, booktitle = {}, year = 2012, } @inproceedings{CTT100645017, author = {Kana Fuji and Masakazu Sekijima and Hiroshi Fujisaki and Mikito Toda}, title = {生体分子の分子動力学に対する時系列解析ー集団運動の揺らぎと構造変化の関係を探るー}, booktitle = {生物物理}, year = 2012, } @inproceedings{CTT100645016, author = {Kana Fuji and Masakazu Sekijima and Hiroshi Fujisaki and Mikito Toda}, title = {生体分子の分子動力学に対する時系列解析ー集団運動の揺らぎと構造変化の関係を探るーII}, booktitle = {}, year = 2012, } @inproceedings{CTT100632837, author = {Shiqiao Du and Takuro Udagawa and Toshio Endo and Masakazu Sekijima}, title = {Molecular Dynamics Simulation of a Biomolecule with High Speed, Low Power and Accuracy Using GPU-Accelerated TSUBAME2.0 Supercomputer}, booktitle = {Proceedings of Asia-Pacific Signal and Information Processing Association Annual Summit and Conference (APSIPA ASC 2011)}, year = 2011, } @inproceedings{CTT100631019, author = {Takahiro Shinozaki and Masakazu Sekijima and Shigeki Hagihara and Sadaoki Furui}, title = {Compact speech decoder based on pure functional programming}, booktitle = {Proc. APSIPA ASC 2011}, year = 2011, } @inproceedings{CTT100633396, author = {Kana Fuji and Masakazu Sekijima and Mikito Toda}, title = {分子動力学の時系列データ解析ー側鎖の構造変化と運動ー}, booktitle = {}, year = 2011, } @inproceedings{CTT100633394, author = {Takahiro Shinozaki and Toshinao Iwaki and Shichao Du and Masakazu Sekijima and SADAOKI FURUI}, title = {Distance based Graph Linearization and Sampled Max-sum Algorithm for Efficient 3D Potential Decoding of Macromolecules}, booktitle = {情報処理学会研究会報告}, year = 2011, } @inproceedings{CTT100626183, author = {Takaaki Sasaki and Masakazu Sekijima}, title = {Ligand binding site prediction in protein by water molecule information entropy}, booktitle = {第11回日本蛋白質科学会年会 プログラム・要旨集}, year = 2011, } @inproceedings{CTT100625027, author = {Takahiro Shinozaki and Masakazu Sekijima and Shigeki Hagihara and Sadaoki Furui}, title = {A compact speech decoder based on pure functional programming}, booktitle = {Manuscript for presentation at IPSJ-SIGPRO, 25 April 2011.}, year = 2011, } @inproceedings{CTT100754989, author = {Takahiro Shinozaki and Masakazu Sekijima and Shigeki Hagihara and SADAOKI FURUI}, title = {純粋関数型言語を用いた超コンパクトデコーダの開発}, booktitle = {}, year = 2011, } @inproceedings{CTT100626188, author = {Takurou Udagawa and Masakazu Sekijima}, title = {分子動力学法のマルチノード環境におけるGPUの電力効率の評価}, booktitle = {}, year = 2011, } @inproceedings{CTT100625007, author = {Yusei Owatari and Masakazu Sekijima and Yutaka Akiyama}, title = {タンパク質-リガンド間の結合性解析の自動パイプライン化}, booktitle = {}, year = 2011, } @inproceedings{CTT100626857, author = {Takaaki Sasaki and Masakazu Sekijima}, title = {情報エントロピーによるタンパク質のリガンド結合部位予測}, booktitle = {}, year = 2011, } @inproceedings{CTT100626177, author = {Takaaki Sasaki and Masakazu Sekijima}, title = {タンパク質内の水分子のダイナミクス解析によるリガンド結合部位予測}, booktitle = {IPSJ SIG Technical Report}, year = 2010, } @inproceedings{CTT100625472, author = {Takuro Udagawa and Masakazu Sekijima}, title = {Energy Consumption of GPU with Molecular Dynamics}, booktitle = {Proceedings of the 22th IASTED International Conference on Parallel and Distributed Computing and Systems}, year = 2010, } @inproceedings{CTT100626178, author = {Takurou Udagawa and Masakazu Sekijima}, title = {Energy Consumption and Acceleration of GPU of Molecular Dynamics Simulation}, booktitle = {IPSJ SIG Technical Report}, year = 2010, } @inproceedings{CTT100612363, author = {Takahiro Shinozaki and Masakazu Sekijima and Shigeki Hagihara and SADAOKI FURUI}, title = {柔軟でコンパクトな純粋関数型デコーダの検討}, booktitle = {日本音響学会2010年秋季講演論文集}, year = 2010, } @inproceedings{CTT100604322, author = {Yusuke Matsuzaki and Masahito Ohue and Yuri Matsuzaki and Toshiyuki Sato and Masakazu Sekijima and Yutaka Akiyama}, title = {Improvement of rigid-body prediction for unbound docking based on protein feature}, booktitle = {IPSJ SIG Technical Report}, year = 2010, } @inproceedings{CTT100593481, author = {Yusuke Matsuzaki and Yuri Matsuzaki and Masakazu Sekijima and Yutaka Akiyama}, title = {Protein structure sampling based on molecular dynamics and improvement of docking prediction}, booktitle = {Proc. BIOINFO 2009 CBI-KSBSB Joint Conference}, year = 2009, } @inproceedings{CTT100593491, author = {Yusei Owatari and Masakazu Sekijima and Yutaka Akiyama}, title = {Binding analysis of neuraminidase inhibitors by fragment MO calculation}, booktitle = {Proc. BIOINFO 2009 CBI-KSBSB Joint Conference}, year = 2009, } @inproceedings{CTT100590410, author = {Yusei Owatari and Masakazu Sekijima and Yutaka Akiyama}, title = {フラグメントMO法によるノイラミニダーゼ阻害薬の結合性解析}, booktitle = {IPSJ SIG Technical Report}, year = 2009, } @inproceedings{CTT100590384, author = {Yusuke Matsuzaki and Yuri Matsuzaki and Masakazu Sekijima and Yutaka Akiyama}, title = {Protein structure sampling based on molecular dynamics and improvement of docking prediction}, booktitle = {IPSJ SIG Technical Report}, year = 2009, } @inproceedings{CTT100813920, author = {Masakazu Sekijima and Shinya Takasaki and 中村 周吾 and 池口 満徳 and 清水 謙多郎}, title = {サブタスク間の依存関係に基づくスケジューリング機構を備えた並列プログラミング環境の開発}, booktitle = {情報処理学会論文誌プログラミング(PRO)}, year = 2000, } @inproceedings{CTT100813921, author = {Masakazu Sekijima and 高崎 慎也 and 中村 周吾 and 池口 満徳 and 清水 謙多郎}, title = {サブタスク間の依存関係に基づくスケジューリング機構を備えた並列プログラミング環境の開発}, booktitle = {情報処理学会論文誌プログラミング(PRO)}, year = 2000, } @misc{CTT100860420, author = {Masakazu Sekijima and Gen Li and Nobuaki Yasuo}, title = {化合物生成装置、化合物生成方法、学習装置、学習方法及びプログラム}, howpublished = {PublishedPatent}, year = 2021, month = {}, note = {特願2020-063193(2020/03/31), 特開2021-068410(2021/04/30)} } @misc{CTT100840043, author = {Masakazu Sekijima and Hiroshi Yoda and Nobuaki Yasuo}, title = {立体構造判定装置、立体構造判定方法、立体構造の判別器学習装置、立体構造の判別器学習方法及びプログラム}, howpublished = {RegisteredPatent}, year = 2022, month = {}, note = {特願2019-015086(2019/01/31), 特開2020-123189(2020/08/13), 特許第7168979号(2022/11/01)} }