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1دورية أكاديمية
المؤلفون: Biao Ma (260101), Kei Terayama (7272047), Shigeyuki Matsumoto (2406985), Yuta Isaka (8968277), Yoko Sasakura (2306524), Hiroaki Iwata (502492), Mitsugu Araki (3377771), Yasushi Okuno (61219)
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Molecular Biology, Pharmacology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, 3 D docking, binding affinity score, Monte Carlo tree search, SBMolGen, Novo Molecular Generator, molecule, G protein-coupled receptors, drug design, chemical space distribution, target proteins, generation models
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2دورية أكاديمية
المؤلفون: Takahiro Yoshizawa (520686), Ken Uchibori (10188632), Mitsugu Araki (3377771), Shigeyuki Matsumoto (2406985), Biao Ma (260101), Ryo Kanada (281999), Yosuke Seto (3135102), Tomoko Oh-hara (448833), Sumie Koike (448835), Ryo Ariyasu (10188642), Satoru Kitazono (10188645), Hironori Ninomiya (10188647), Kengo Takeuchi (184615), Noriko Yanagitani (10188649), Satoshi Takagi (448831), Kazuma Kishi (2187283), Naoya Fujita (448838), Yasushi Okuno (61219), Makoto Nishio (10188651), Ryohei Katayama (10188654)
مصطلحات موضوعية: Computational Biology, Medical Biochemistry: Proteins and Peptides (incl. Medical Proteomics), Oncology and Carcinogenesis not elsewhere classified, EGFR mutations, computational structural analysis, non-small-cell lung cancer cells
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3دورية أكاديمية
المؤلفون: Gert-Jan Bekker (3760579), Mitsugu Araki (3377771), Kanji Oshima (293201), Yasushi Okuno (61219), Narutoshi Kamiya (467001)
مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biotechnology, Cancer, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, second ranking configuration, provide crucial insights, performed dynamic docking, multicanonical molecular dynamics, exists deep inside, based dynamic docking, affinity allosteric inhibitor, orthosteric binding site, gpcr systems would, g ‑ protein, binding site, prototypic g, wide array, using one, target gpcrs, sufficiently stable, stable structure, simulations sampled, reaction coordinate
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4دورية أكاديمية
المؤلفون: Kei Terayama (7272047), Masato Sumita (672347), Michio Katouda (1412461), Koji Tsuda (86274), Yasushi Okuno (61219)
مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Sociology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, quantum chemical calculations, Metastable States, Molecular Conformations, dipeptide, conformation prediction, GBO framework, geometry optimization process, Geometry optimization, molecule, gray-box optimization, theory level, geometry optimizations, conformer, geometry optimization iterations, mycophenolic acid
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5
المؤلفون: Kei Terayama (7272047), Masato Sumita (672347), Michio Katouda (1412461), Koji Tsuda (86274), Yasushi Okuno (61219)
مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Sociology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, quantum chemical calculations, Metastable States, Molecular Conformations, dipeptide, conformation prediction, GBO framework, geometry optimization process, Geometry optimization, molecule, gray-box optimization, theory level, geometry optimizations, conformer, geometry optimization iterations, mycophenolic acid