Publications




2016

    [Shimizu16]Masahiro Shimizu, Yasunori Noguchi, Yukari Sakiyama, Hironori Kawakami, Tsutomu Katayama, and Shoji Takada, Near-atomic structural model for bacterial DNA replication initiation complex and its functional insights, Proceedings of the National Academy of Sciences USA, in press: -, doi: 10.1073/pnas.1609649113, 2016 [Link]

    [Chang16]Le Chang and Shoji Takada, Histone acetylation dependent energy landscapes in tri-nucleosome revealed by residue-resolved molecular simulations, Scientific Reports, 6: 34441 (13 pages) , doi: 10.1038/srep34441, 2016 [Link]

    [Tan16]Cheng Tan, Tsuyoshi Terakawa, and Shoji Takada, Dynamic Coupling among Protein Binding, Sliding, and DNA Bending Revealed by Molecular Dynamics, J. Am. Chem. Soc., 138: 8512-8522, 2016 [Link]

    [Krah16]Alexander Krah, and Shoji Takada, On the ATP binding site of the ε subunit from bacterial F-type ATP synthases, Biochimica et Biophysica Acta - Bioenergetics, 1857: 332-340, 2016 [Link]

2015

    [Takada15] Shoji Takada, Ryo Kanada, Cheng Tan, Tsuyoshi Terakawa, Wenfei Li, and Hiroo Kenzaki, Modeling Structural Dynamics of Biomolecular Complexes by Coarse-Grained Molecular Simulations, Accounts of Chemical Research, 48: 3026-3035 DOI: 10.1021/acs.accounts.5b00338, 2015 [Link]

    [Terakawa15] Tsuyoshi Terakawa and Shoji Takada, p53 dynamics upon response element recognition explored by molecular simulations, Scientific Reports, 5: 17107. doi:10.1038/srep17107, 2015 [Link]

    [Kenzaki15] Hiroo Kenzaki and Shoji Takada, Partial Unwrapping and Histone Tail Dynamics in Nucleosome Revealed by Coarse-Grained Molecular Simulations, PLoS Computational Biology , 11: e1004443. doi:10.1371/journal.pcbi.1004443, 2015 [Link]

    [Tanaka15] Tomohiro Tanaka, Naoto Hori, and Shoji Takada, How Co-translational Folding of Multi-domain Protein Is Affected by Elongation Schedule: Molecular Simulations, PLoS Computational Biology , 11: e1004356. doi: 10.1371/journal.pcbi.1004356, 2015 [Link]

    [Krah15] Alexander Krah and Shoji Takada, On the Mg2+ binding site of the ε subunit from bacterial F-type ATP synthases, Biochimica et Biophysica Acta - Bioenergetics, 1847: 1101-1112, 2015 doi:10.1016/j.bbabio.2015.05.018[Link]

    [OnoJ15] Junichi Ono, Shoji Takada, and Shinji Saito, Couplings between hierarchical conformational dynamics from multi-time correlation functions and two-dimensional lifetime spectra: Application to adenylate kinase, Journal of Chemical Physics, 142: 212404, 2015 [Link]

    [Ono15] Koji Ono, Mashiho Ito, Shun Hirota, and Shoji Takada, Dimer domain swapping versus monomer folding in apo-myoglobin studied by molecular simulations, Phys. Chem. Chem. Phys., 17: 5006-5013, 2015 DOI: 10.1039/C4CP05203J [Link]

    [村上15] 村上 聡, 山根 努, 池口 満徳, 高田彰二, 計算科学と実験科学の組み合わせにより明らかになった多剤排出トランスポーターAcrBの分子メカニズム, 生物物理, 55: 27-30, 2015.[Link]

2014

    [Li14]Wenfei Li, Wei Wang, and Shoji Takada, Energy landscape views for interplays among folding, binding, and allostery of calmodulin domain, Proceedings of the National Academy of Sciences USA, 111: 10550-10555, 2014.[Link]

    [Terakawa14c]Tsuyoshi Terakawa and Shoji Takada, Multi-scale modeling of intrinsically disordered proteins , Multiscale Methods in Molecular Biophysics (editted by Cecilia Clementi) Taylor & Francis, : -, 2014 in press [Link]

    [Terakawa14b]Tsuyoshi Terakawa, Junichi Higo, and Shoji Takada, Multi-scale ensemble modeling of modular proteins with intrinsically disordered linker regions: Application to p53, Biophysical Journal, 107: 721-729, 2014 [Link] DOI: 10.1016/j.bpj.2014.06.026

    [高田14] 高田彰二, 粗視化シミュレーションと実験科学, 1分子ナノバイオ (野地博行 編集) 化学同人, 8章: 73-82, 2014. [Link] .

    [Terakawa14a]Tsuyoshi Terakawa and Shoji Takada, RESPAC: Method to Determine Partial Charges in Coarse-Grained Protein Model and Its Application to DNA-Binding Proteins, Journal of Chemical Theory and Computation, 10: 711-721, 2014 [Link]

2013

    [高田13d] 高田彰二, モータータンパク質:理論, 揺らぎ・ダイナミクスと生体機能 -物理化学的視点から見た生体分子- (寺嶋正秀 編集) 化学同人, 15章2節: 243-252, 2013.

    [高田13c] 高田彰二, 生命現象にもっと数式を, 生物物理, 53: 125-125, 2013.[Link]

    [Murakami13]Yohei Murakami and Shoji Takada , Bayesian parameter inference by Markov chain Monte Carlo with hybrid fitness measures: Theory and test in apoptosis signal transduction network, PLoS One, 8: e74178, 2013 [Link]

    [McGrath13] Matthew J. McGrath, I-F. Will Kuo, Shigehiko Hayashi, and Shoji Takada, ATP hydrolysis mechanism in kinesin studied by combined quantum-mechanical molecular-mechanical metadynamics , Journal of the American Chemical Society, 103: 8908-8919, 2013. [Link]

    [Ito13] Mashiho Ito, Takeaki Ozawa, and Shoji Takada, Folding Coupled with Assembly in Split Green Fluorescent Proteins Studied by Structure-Based Molecular Simulations, Journal of Physical Chemistry B, : -, 2013 DOI: 10.1021/jp4032817 in press [Link] DOI: 10.1021/jp4032817

    [高田13b] 高田彰二, タンパク質折れたたみ問題はどこまで理解できたか?, パリティ, 28巻7号: 6-9, 2013.

    [Yao13] Xin-Qiu Yao, Nobuhiro Kimura, Satoshi Murakami, and Shoji Takada, Drug Uptake Pathways of Multidrug Transporter AcrB Studied by Molecular Simulations and Site-Directed Mutagenesis Experiments, Journal of the American Chemical Society, 135: 7474-7485, 2013 [Link]

    [Chang13] Le Chang, Takeshi Ishikawa, Kazuo Kuwata, and Shoji Takada, Protein-specific force field derived from the fragment molecular orbital method can improve protein-ligand binding interactions, Journal of Computational Chemistry, 34: 1251-1257, 2013[Link]

    [高田13] 高田彰二, 生体分子の分子動力学シミュレーション, 日本機械学会誌, 116: 78-80, 2013.

    [Kanada13] Ryo Kanada, Takeshi Kuwata, Hiroo Kenzaki, and Shoji Takada, Structure-based molecular simulations reveal the enhancement of biased Brownian motions in single-headed kinesin, PLoS Computational Biology, 9: e1002907 (13 pages), 2013 [Link]

2012

    [Terakawa12] Tsuyoshi Terakawa, Hiroo Kenzaki, and Shoji Takada, p53 searches on DNA by rotation-uncoupled sliding at C-terminal tails and restricted hopping of core domains , Journal of the American Chemical Society, 134: 14555-14562, 2012.[Link]

    [Hori12] Naoto Hori and Shoji Takada, Coarse-Grained Structure-Based Model for RNA-Protein Complexes Developed by Fluctuation Matching, Journal of Chemical Theory and Computation, 8: 3384-3394, 2012[Link]

    [Li12] Wenfei Li, Tsuyoshi Terakawa, Wei Wang, Shoji Takada, Energy landscape and multiroute folding of topologically complex proteins adenylate kinase and 2ouf-knot, Proceedings of the National Academy of Sciences USA, 109: 17789-17794, 2012 [Link]

    [高田12c] 高田彰二, 蛋白質のアロステリーと配列デザイン原理, 生物物理, 52: 150-151, 2012 [Link]

    [高田12b] 神取秀樹 他, 300号記念特集座談会「生物物理の未来」, 生物物理, 52: 83-95, 2012 [Link]

    [Takada12] Shoji Takada, Coarse-grained molecular simulations of large biomolecules, Current Opinion in Structural Biology, 22: 130-137, 2012 [Link]

    [高田12a] 高田彰二, 巨大分子系の計算化学, 化学同人, CSJ 08: 1章, 16章, 2012 [Link]

    [Murakami12] Yohei Murakami and Shoji Takada, Rigor of cell fate decision by variable p53 pulses and roles of cooperative gene expression by p53 , BIOPHYSICS, 8: 41-50, 2012 [Link]

2011

    [Terakawa11] Tsuyoshi Terakawa and Shoji Takada, Multiscale ensemble modeling of intrinsically disordered proteins: p53 N-terminal domain, Biophysical Journal, 101: 1450-1458, 2011 [Link]

    [Kenzaki11] Hiroo Kenzaki, Nobuyasu Koga, Naoto Hori, Ryo Kanada, Wenfei Li, Kei-ichi Okazaki, Xin-Qiu Yao, and Shoji Takada , CafeMol: A coarse-grained biomolecular simulator for simulating proteins at work, Journal of Chemical Theory and Computation , 7: 1979-1989, 2011 [Link]

    [Okazaki11]Kei-ichi Okazaki and Shoji Takada , Structural comparison of F1-ATPase: Interplay among enzyme structures, catalysis, and rotations, Structure, 19: 588-598, 2011 [Link]

    [Li11]Wenfei Li, Peter G. Wolynes, and Shoji Takada , Frustration, specific sequence dependence, and nonlinearity in large-amplitude fluctuations of allosteric proteins , Proceedings of the National Academy of Sciences USA, 108: 3504-3509, 2011 [Link]

    [Terakawa11]Tsuyoshi Terakawa, Tomoshi Kameda, and Shoji Takada, On easy implementation of a variant of the replica exchange with solute tempering in GROMACS, Journal of Computational Chemistry, 32: 1228-1234, 2011 doi:10.1002/jcc.21703 [Link]

2010

    [高田c] 高田彰二, タンパク質の立体構造入門――基礎から構造バイオインフォマティクスへ(藤博幸 編集), 講談社, 2,5,6章の一部, 2010 [Link]

    [Yao10] Xin-Qiu Yao, Hiroo Kenzaki, Satoshi Murakami, and Shoji Takada, Drug export and allosteric coupling in a multidrug transporter revealed by molecular simulations, Nature Communications, 1: 117(8 pages), 2010 doi:10.1038/ncomms1116 [Link]

    [Li10b] Wenfei Li and Shoji Takada, Characterizing protein energy landscape by the self-learning multiscale simulations: Application to a designed beta-hairpin, Biophysical Journal, 99: 3029-3037, 2010 [Link]

    [Li10a] Wenfei Li, Hiroaki Yoshii, Naoto Hori, Tomoshi Kameda, and Shoji Takada Multiscale methods for protein folding simulations, Methods, 52: 106-114, 2010 [Link]

    [高田10b] 高田彰二, 郷モデルの35年, 生物物理, 50: 158-159, 2010 [Link]

    [高田10a] 高田彰二, ハミルトニアンレプリカ交換法, アンサンブル, 12: 19-22, 2010

2009

    [Koga09]Nobuyasu Koga*, Tomoshi Kameda*, Kei-ichi Okazaki, and Shoji Takada , Paddling mechanism for the substrate translocation by AAA+ motor revealed by multiscale molecular simulations, Proceedings of the National Academy of Sciences USA, 106: 18237-18242, 2009 [Link](* These authors contributed equally to this work)

    [Li09]Wenfei Li and Shoji Takada, Self-learning multiscale simulation for achieving high accuracy and high efficiency simultaneously, Journal of Chemical Physics, 130: 214108(6 pages), 2009 [Link]

    [岡崎09] 岡崎圭一, 高田彰二, アロステリーの分子機構:MWCかあるいはKNFか? , 生物物理, 49: 132-134, 2009 [Link]

    [Niwa09] Tatsuya Niwa, Bei-Wen Ying, Katsuyo Saito, WenZhen Jin, Shoji Takada, Takuya Ueda, and Hideki Taguchi, Bimodal protein solubility distribution revealed by an aggregation analysis of the entire ensemble of Escherichia coli proteins, Proceedings of the National Academy of Sciences USA, 106: 4201-4206, 2009 [Link]

    [Hori09]Naoto Hori, George Chikenji, R. Stephen Berry, and Shoji Takada, Folding energy landscape and network dynamics of small globular proteins, Proceedings of the National Academy of Sciences USA, 106: 73-78, 2009 [Link]



2008

    [Okazaki08] Kei-ichi Okazaki and Shoji Takada, Dynamic energy landscape view of coupled binding and protein conformational change: Induced-fit versus population-shift mechanisms, Proceedings of the National Academy of Sciences USA, 105: 11182-11187, 2008 [Link]

    [Furuta08] Tadaomi Furuta, Yoshimi Fujitsuka, George Chikenji, and Shoji Takada In silico chaperonin-like cycle helps folding of proteins for structure prediction, Biophysical Journal, Biophysical Journal, 94: 2558-2565, 2008 [Link]

    [Jin08] Wenzhen Jin, Shoji Takada Asymmetry in membrane protein sequence and structure: Glycine outside rule, Journal of Molecular Biology, 377: 74-82, 2008 [Link]



2007

    [Chikenji07] George Chikenji, Yoshimi Fujittsuka, and Shoji Takada, What We can Learn about Protein Folding from Recent Progress in Structure Prediction, Frontiers of Computational Science(Springer), 149-155, 2007

    [高田07] 高田彰二 生体分子の計算機シミュレーション: 巨大システムへの挑戦, パリティ, 2007年1月号: 51-52, 2007



2006

    [Kameda06] Tomoshi Kameda and Shoji Takada, Secondary structure templates the folding of nearby polypeptides, Proceedings of the National Academy of Sciences USA, 103:17765-17770, 2006 [Link]

    [Okazaki06] Kei-ichi Okazaki, Nobuyasu Koga, Shoji Takada, Jose N Onuchic, and Peter G Wolynes, Multiple-basin energy landscapes for large amplitude conformational motions of proteins: Structure-based molecular dynamics simulations, Proceedings of the National Academy of Sciences USA, 103: 11844-11849, 2006 [Link]

    [Koga06] Nobuyasu Koga and Shoji Takada, Folding-based molecular simulations reveal mechanisms of the rotary motor F1-ATPase, Proceedings of the National Academy of Sciences USA, 103: 5367-5372, 2006 [Link]

    [Kobayashi06] Chigusa Kobayashi and Shoji Takada, Protein grabs a ligand by extending anchor residues: Molecular simulation for Ca2+ binding to calmodulin loop, Biophysical Journal, 90:3043-3051, 2006 [Link]

    [Fujitsuka06] Yoshimi Fujitsuka, George Chikenji, and Shoji Takada, SimFold energy function for de novo protein structure prediction: Consensus with Rosetta, Proteins:Structure, Function, and Bioinformatics, 62: 381-398, 2006 [Supplemental Data] [Link][Erratum]

    [Chikenji06] George Chikenji, Yoshimi Fujitsuka, and Shoji Takada, Shaping up the protein folding funnel by local interaction: Lesson from a structure prediction study, Proceedings of the National Academy of Sciences USA, 103: 3141-3146, 2006 [Link]



2005

    [Arikawa05] Hiroshi Arikawa,Shingo Masuda, Tadaomi Furuta,Wenzhen Jin, Sung-Joon Park, Shoji Takada, Kazutoshi Fujikawa and Hideki Sunahara , A Computing System for Protein Structure Prediction with Trial-and-error Process, ACS Transaction, IPSJ, 46(SIG12):407-419, 2005 [Link]

    [Park05] Sung-Joon Park, Shoji Takada and Masayuki Yamamura, Two-layered Comparison of Protein Structures by Real-coded GA, IPSJ Journal, 46(3):898-910, 2005 [Link]

    [高田05b] 高田彰二、高城史子, フォールディングの理論, 実験医学増刊「細胞内タンパク質の社会学」, 23:44(2254)-49(2259), 2005

    [朴05] 朴 聖俊,千見寺 浄慈,広川 貴次,富井 健太郎,高田 彰二, タンパク質立体構造予測の現状と未来, 人工知能学会誌, 20(4):479-485, 2005 [Link]

    [千見寺05] 千見寺 浄慈, 高田 彰二, 本野 千恵, 富井 健太郎, CASP6会議報告―日本勢がんばる―, 生物物理, 45(3):165-167, 2005 [Link]

    [高田05a] 高田彰二, フォールディング反応―理論とシミュレーション―, タンパク質科学(後藤祐児、桑島邦博、谷澤克行 編)化学同人, 261-272, 2005

    [岡本05] 岡本祐幸,高田彰二, タンパク質のフォールディングシミュレーションから立体構造予測問題に迫る, 現代化学3月号, 408:47-53, 2005 [Link]

    [Park05] Sung-Joon Park, A Study of Fragment-Based Protein Structure Prediction: Biased Fragment Replacement for Searching Low-energy Conformation, Genome Informatics, 16(2):104-113, 2005 [Supplemental Data] [Link]

    [Fujikawa05] Kazutoshi Fujikawa, Wenzhen Jin, Sung-Joon Park, Tadaomi Furuta, Shoji Takada, Hiroshi Arikawa, Susumu Date and Shinji Shimojo, Applying a Grid Technology to Protein Structure Predictor , Stud Health Technol Inform. (Proc. HealthGrid 2005), 112:27-36, 2005 [Link]



2004

    [Zhu04] Yongjin Zhu, Xiaoran Fu, Ting Wang, Atsuo Tamura, Shoji Takada, Jeffery G. Saven, and Feng Gai, Guiding the search for a protein's maximum rate of folding, Chemical Physics, 307:99-109, 2004 [Link]

    [Lee04] Seung Yup Lee, Yoshimi Fujitsuka, Do Hyun Kim and Shoji Takada, Roles of physical interactions in determining protein folding mechanisms: Molecular simulation of protein G and alpha spectrin SH3, Proteins:Structure, Function, and Bioinformatics, 55:128-138, 2004 [Link]

    [Fujitsuka04] Yoshimi Fujitsuka, Shoji Takada, Zaida A. Luthey-Schulten, and Peter G. Wolynes, Optimizing Physical Energy Functions for Protein Folding, Proteins:Structure, Function, and Bioinformatics, 54:88-103, 2004 [Supplemental Data] [Link]

    [Chikenji04] George Chikenji, Yoshimi Fujitsuka and Shoji Takada, Protein folding mechanisms and energy landscape of src SH3 domain studied by a structure prediction toolbox, Chemical Physics, 307:157-162, 2004 [Link]

    [高田04] 高田彰二, 蛋白質のフォールディング〜 in vitroとin vivoの間, 蛋白質核酸酵素5月増刊号, 49(7):838-840, 2004 [Link]



2003

    [Takagi03] Fumiko Takagi, Nobuyasu Koga and Shoji Takada, How protein thermodynamics and folding mechanisms are altered by the chaperonin cage: Molecular simulations, Proceedings of the National Academy of Sciences USA, 100:11367-11372, 2003 [Link]

    [Kinjo03] Akira R Kinjo and Shoji Takada, Competition between Protein Folding and Aggregation with Molecular Chaperones in Crowded Solutions: Insight from Mesoscopic Simulations, Biophysical Journal, 85:3521-3531, 2003 [Link]

    [Kameda03] Tomoshi Kameda, Importance of sequence specificity for predicting protein folding pathways: Perturbed Gaussian chain model, Proteins:Structure, Function, and Bioinformatics, 53:616-628, 2003 [Link]

    [Jin03] Wenzhen Jin, Ohki Kambara, Hiroaki Sasakawa, Atsuo Tamura, and Shoji Takada, De novo design of foldable proteins with smooth folding funnel: Automated negative design and experimental verification, Structure, 11:581-590, 2003 [Link]

    [Chikenji03] George Chikenji,Yoshimi Fujitsuka and Shoji Takada, A reversible fragment assembly method for de novo protein structure prediction, Journal of Chemical Physics, 119:6895-6903, 2003 [Link]



2002

    [Kinjo02b] Akira R Kinjo and Shoji Takada, Effects of macromolecular crowding on protein folding and aggregation studied by density functional theory: Dynamics, Physical Review, E66(051902), 2002 [Link]

    [Kinjo02a] Akira R Kinjo and Shoji Takada, Effects of macromolecular crowding on protein folding and aggregation studied by density functional theory: Statics, Physical Review, E66(031911), 2002 [Link]

    [Fukunishi02] Hiroaki Fukunishi, Osamu Watanabe and Shoji Takada, On the Hamiltonian replica exchange method for efficient sampling of biomolecular systems: Application to protein structure prediction, Journal of Chemical Physics, 116:9058-9067, 2002 [Link]

    [高田02b] 高田彰二, タンパク質の立体構造予測―粗視化モデルによるアプローチ, 化学フロンティア, 8:98-109, 2002

    [高田02a] 高田彰二, 蛋白質フォールディングのファネル理論と動的機能, 蛋白質核酸酵素, 47:684-689, 2002



2001

    [Takada01] Shoji Takada, Protein Folding Simulation With Solvent-Induced Force Field: Folding Pathway Ensemble of Three-Helix-Bundle Proteins, Proteins: Structure, Function, and Genetics, 42:85-98, 2001 [Link]

    [Portman01b] John J. Portman, Shoji Takada, and Peter G. Wolynes, Microscopic theory of protein folding rates II. Local reaction coordinates and chain dynamics, Journal of Chemical Physics, 114:5082-5096 , 2001 [Link]

    [Portman01a] John J. Portman, Shoji Takada, and Peter G. Wolynes, Microscopic theory of protein folding rates. I. Fine structure of the free energy profile and folding routes from a variational approach, Journal of Chemical Physics, 114:5069-5081 , 2001 [Link]

    [Koga01] Nobuyasu Koga and Shoji Takada, Roles of native topology and chain length scaling in protein folding: Simulation study with Go-like model, Journal of Molecular Biology, 313:171-180, 2001 [Link]

    [高田01] 高田彰二, 蛋白質の立体構造トポロジーとフォールディング, 蛋白質核酸酵素, 46:148-153, 2001



2000

    [Takada00] Shoji Takada, Simulating Protein Folding with Coarse Grained Models, Supplement of Progress of Theoretical Physics, 138:366-371, 2000 [Link]

    [高田00] 高田彰二, タンパク質フォールディングの物理化学, 生物物理, 227:20-24, 2000



1999

    [Takada99b] Shoji Takada, Go-ing for Prediction of Protein Folding Mechanisms, Proceedings of the National Academy of Sciences USA, 96:11698-11700, 1999 [Link]

    [Takada99a] Shoji Takada, Zaida A. Luthey-Schulten, and Peter G. Wolynes, Folding dynamics with nonadditive forces: A simulation study of a designed helical protein and a random heteropolymer, Journal of Chemical Physics, 110:11616-11629, 1999 [Link]

    [Takada99] Shoji Takada, Site Resolved Landscape Theory of Fast Folding Protein, "Old and New Views of Protein Folding" (edited by K. Kuwajima and M. Arai)(Elsevier), 117-124, 1999



1998

    [Portman98] John J. Portman, Shoji Takada, and Peter G. Wolynes, Variational theory for site resolved protein folding free energy surfaces, Physical Review Letter, 81:5237-5240, 1998 [Link]



1997

    [Takada97d] Shoji Takada and Peter G. Wolynes, Microscopic theory of critical folding nuclei and reconfiguration activation barriers in folding proteins, Journal of Chemical Physics, 107:9585-9598, 1997 [Link]

    [Takada97c] Shoji Takada, John J. Portman, and Peter G. Wolynes, An elementary mode coupling theory of random heteropolymer dynamics, Proceedings of the National Academy of Sciences USA , 94:2318-2321, 1997 [Link]

    [Takada97b] Shoji Takada and Peter G. Wolynes, Glassy dynamics of random heteropolymer, Supplement of Progress of Theoretical Physics, 126:49-52, 1997

    [Takada97a] Shoji Takada and Peter G. Wolynes, Statics, metastable states and barriers in protein folding: A replica variational approach, Physical Review E, 55:4562-4577, 1997 [Link]



1996

    [Takada96] Shoji Takada, Multidimensional tunneling in terms of complex classical mechanics: Wave functions, energy splittings and decay rates in nonintegrable systems, Journal of Chemical Physics, 104:3742-3759, 1996



1995

    [Takada95b] Shoji Takada, Paul N. Walker and Michael Wilkinson, Transfer-matrix approach to tunneling between Kolmogorov-Arnold-Moser tori, Physical Review A, 52:3546-3553, 1995 [Link]

    [Takada95a] Shoji Takada and Hiroki Nakamura, Effects of vibrational excitation on multidimensional tunneling: General study and proton tunneling in tropolone, Journal of Chemical Physics, 102:3977-3992, 1995 [Link]



1994

    [Takada94b] Shoji Takada and Hiroki Nakamura, WKB theory of tunneling between tori, Supplement of Progress of Theoretical Physics, 116:295-301, 1994

    [Takada94a] Shoji Takada and Hiroki Nakamura, Wentzel-Kramers-Brillouin theory of multidimensionl tunneling: General theory for energy splittng, Journal of Chemical Physics, 100:98-113, 1994 [Link]

    [Moribayashi94] Kengo Moribayashi, Shoji Takada, and Hiroki Nakamura, Constant centrifugal potential approximation for atom-diatom chemical reaction dynamics, Journal of Chemical Physics, 100:4284-4293, 1994 [Link]



1993

    [Takada93] Shoji Takada, Ken-ichiro Tsuda, Akihiko Ohsaki, and Hiroki Nakamura, Effects of potential energy surface topography and isotope substitution in atom-diatom chemical reactions: The Cl+H2 and D+H2 systems, Advances in molecular vibrations and collision dynamics, 2A:245-284, 1993



1992

    [Takada92] Shoji Takada, Akihiko Ohsaki, and Hiroki Nakamura, Reaction dynamics of D+H2 --> DH+H: Effects of potential energy surface topography and usefulness of the constant centrifugal potential approximation, Journal of Chemical Physics, 96:339-348, 1992 [Link]