The 15th Annual Meeting of Japan Society for Molecular Science

Oral Sessions

Saturday, September 18 (Starting at 9:30)

For each presentation, the alphabet in the Presentation Number indicates the location, the first digit the day of the presentation (the 1st, 2nd, 3rd, or 4th day of the meeting), and the last two the order within each day for that venue.

Saturday Morning Sessions(September 18, starting at 9:30)

Venue A [Gas phase]

9:30-9:48 1A01Ultrafast ring-opening reaction of 1,3-cyclohexadiene: identification of non-adiabatic pathway via doubly excited state and product coherence
(Graduate School of Science, Kyoto Univ.1,Universität Würzburg, Institut für Physikalische und Theoretische Chemie2,Graduate School of Science, Tohoku Univ.3) Shutaro Karashima1, Alexander Humeniuk2, Ryuta Uenishi1, Takuya Horio1, Manabu Kanno3, Tetsuro Ohta1, Junichi Nishitani1, Roland Mitric2, *Toshinori Suzuki1
9:48-10:06 1A02Ultrafast extreme ultraviolet photoelectron spectroscopy of nonadiabatic photodissociation dynamics of CS2
(Graduate School of Science, Kyoto Univ.1,School of Medical Technology, Health Sciences University of Hokkaido2) *Shutaro Karashima1, Yoshi-ichi Suzuki2, Toshinori Suzuki1
10:06-10:24 1A03Nonadiabatic dynamics simulation of the intermolecular photodissociation of a carbon dioxide dimer cation (CO2)2+
(Graduate School of Science, Tohoku Univ.) *Manabu Kanno, Toshiaki Maeda, Yuji Nakashima, Fuminori Misaizu, Hirohiko Kono
10:24-10:42 1A04Ring-opening dynamics probed by soft x-ray absorption spectroscopy
(Depart. of Appl. Phys. Hokkaido Univ.1,ISSP Univ. of Tokyo2,QEST3,Depart. of Chem. Hokkaido Uni4) *Yutaro Kurimoto1, Nariyuki Saito2, Yoshihisa Ishii3, Teruto Kanai2, Jiro Itatani2, Kenichiro Saita4, Tetsuya Taketsugu4, Taro Sekikawa1
11:00-11:18 1A05Application of multiple scattering theory to the attosecond photoelectron time delay in C(1s) core ionization of CO molecule
(Dep. Phys., Univ. Toyama1,RAP, RIKEN2,Chemistry, Tohoku Univ.3) *Yoshiaki Tamura1, Kaoru Yamazaki2, Fukiko Ota1, Kiyoshi Ueda3, Keisuke Hatada1
11:18-11:36 1A06Implementation of the first-principles simulation based on time-dependent multiconfiguration self-consistent field methods for polyatomic molecules under intense laser pulses
(Univ. Tokyo) *Yuki Orimo, Takeshi Sato, Kenichi Ishikawa
11:36-11:54 1A07Spin-dependent x-ray induced isomerization and fragmentation pathways of tropone dication (C7H7O2+)
(RAP, RIKEN) *Kaoru Yamazaki, Katsumi Midorikawa
11:54-12:12 1A08Classical trajectory calculations for Penning ionization reaction distribution of acenes
(Graduate School of Informatics and Engineering, The Univ. of Electro-Communications1,School of Informatics and Engineering, The Univ. of Electro-Communications2) *Ryoma Kataoka1, Sayaka Tamura2, Yoshihiro Yamakita1

Venue B [Clusters/particles/nanostructures]

9:30-9:48 1B01Characterization and analytical method development for chiroptical activities of ligand-protected Au13 clusters
(Faculty of Environmental Earth Science, Hokkaido Univ.1,Graduate School of Environmental Science, Hokkaido Univ.2) *Yukatsu Shichibu1,2, Yuri Ogawa2, Mizuho Sugiuchi2, Katsuaki Konishi1,2
9:48-10:06 1B02Synthesis and characterization of diphosphine-protected Ru@Au12 superatom showing an efficient room-temperature phosphorescence
(The Univ. of Tokyo1,NAIST2,Hokkaido Univ.3,ICReDD, Hokkaido Univ.4,ESICB, Kyoto Univ.5) *Shinjiro Takano1, Haru Hirai1, Takuya Nakashima2, Takeshi Iwasa3,4, Tetsuya Taketsugu3,4, Tatsuya Tsukuda1,5
10:06-10:24 1B03Photoluminescent Properties of Diphosphine-Protected M@Au12 Superatoms (M = Au, Pd, Pt, Rh, Ir)
(Graduate School of Science, The University of Tokyo1,Nara Institute of Science and Technology2,Faculty of Science, Hokkaido University3,Institute for Chemical Reaction Design and Discovery, Hokkaido University4,Elements Strategy Initiative for Catalysis and Batteries, Kyoto University5) *Haru Hirai1, Shinjiro Takano1, Takuya Nakashima2, Takeshi Iwasa3,4, Tetsuya Taketsugu3,4, Tatsuya Tsukuda1,5
10:24-10:42 1B04Photoluminescence enhancement of gold clusters by introducing dendron-thiolate ligands
(Graduate School of Science, The University of Tokyo1,ESICB, Kyoto University2) *Tsubasa Omoda1, Shinjiro Takano1, Tatsuya Tsukuda1,2
11:00-11:18 1B05Spontaneous formation of [PtAu24(SR)18] via inter-cluster electron transfer (I): effect of ligand layer thickness on reaction rate
(Graduate School of Science, The University of Tokyo1,ESICB, Kyoto University2) *Megumi Suyama1, Shinjiro Takano1, Tatsuya Tsukuda1,2
11:18-11:36 1B06Spontaneous formation of [PtAu24(SR)18] via inter-cluster electron transfer(II): mechanistic study by gas-phase photoelectron spectroscopy
(Graduate School of Science, The Univ. of Tokyo1,ESICB, Kyoto Univ.2) *Yuriko Tasaka1, Megumi Suyama1, Shun Ito1, Shinjiro Takano1, Kiichirou Koyasu1,2, Tatsuya Tsukuda1,2
11:36-11:54 1B07Gas-phase photoelectron spectroscopy on mass-selected [PdAu24(C≡CArF)18–x(C≡CPh)x]2– (ArF = 3,5-(CF3)2C6H3): increase of electron affinities by electron-withdrawing ligands
(Graduate School of Science, The University of Tokyo1,ESICB, Kyoto University2) *Shun Ito1, Shinjiro Takano1, Kiichirou Koyasu1,2, Tatsuya Tsukuda1,2
11:54-12:12 1B08Creation of novel silver clusters using heteroatom substitution, anion template and light-stimulation
(Tokyo University of Science) *Yuichi Negishi, Yusuke Horita, Sayuri Miyajima, Mana Nakamoto, Tokuhisa Kawawaki, Hossain Sakiat

Venue C [Liquid phase]

9:30-9:48 1C01Decelerated Liquid Dynamics Induced by Component-Dependent Supercooling in Hydrogen and Deuterium Quantum Mixtures
(Department of Chemistry, Kyoto Univ.) *Hyeon-deuk Kim
9:48-10:06 1C02Development of a new method for calculating rate constants of molecular association processes based on the returning probability theory
(Graduate School of Engineering Science, Osaka Univ.) *Ren Masayama, Kazuya Okita, Kento Kasahara, Nobuyuki Matubayasi
10:06-10:24 1C03Spatial alignment of fibrous J-aggregates inducing macroscopic anisotropy in solutions
(Graduate School of Science, Osaka City University) *Mio Harada, Syunsuke Yamamoto, Tomoyuki Yatsuhashi, Kenji Sakota
10:24-10:42 1C04Brownian motion observation of polystyrene beads in solution by dynamic light scattering
(College of Humanities and Sciences, Nihon Univ.) *Satoshi Shibuta, Ken Judai
11:00-11:18 1C05Changes in electronic states of cycloalkanes and their heteroatom-substitutes by using attenuated total reflection in the far ultraviolet region.
(Graduate School of Science and Engineering, Kindai Univ.1,School of Science and Engineering, Kindai Univ.2) *Yugo Higaki1, Yusuke Morisawa2
11:18-11:36 1C06Vibration of large K[Au(CN)2] oligomers (tetramer and pentamer) in the excited triplet state observed by time-resolved impulsive stimulated Raman spectroscopy
(Molecular Spectroscopy Laboratory, RIKEN1,Ultrafast Spectroscopy Research Team, RIKEN Center of Advanced Photonics (RAP), RIKEN2,Research Center of Integrative Molecular Systems, Institute for Molecular Science3,Graduate School of Science and Engineering, University of Toyama4) *Li Liu1, Hikaru Kuramochi1,2,3, Munetaka Iwamura4, Koichi Nozaki4, Tahei Tahara1,2
11:36-12:12 1C07[Young Scientist Award Talk] Molecular Chirality Studied by Nonlinear Spectroscopy : From Bulk Liquid to Monolayer
(Graduate School of Arts and Sciences, The University of Tokyo) *Masanari Okuno

Venue D [Surface/Interface]

9:30-9:48 1D01Oxidation dynamics at interface and surface of an ultrathin hafnium film on Si(111) substrate by core level spectroscopy
(Graduate School of Sci. and Eng., Ehime Univ.1,Faculty of Science, Ehime Univ.2,Japan Atomic Energy Agency3) *Takuhiro Kakiuchi1, Tomoki Matoba2, Daisuke Koyama1, Yuki Yamamoto2, Akitaka Yoshigoe3
9:48-10:06 1D02Synchrotron radiation photoemission study on the oxidation on Ge(110) surface at room temperature.
(Japan Atomic energy agency) *Yasutaka Tsuda, Tetsuya Sakamoto, Akitaka Yoshigoe
10:06-10:24 1D03Ultrafast spectral diffusion of excitons in PTCDI thin films
(Graduate School of Science, Kyoto Univ.) *Tatsuya Yoshida, Kazuya Watanabe
10:24-10:42 1D04Radical Self-Induction in a Proton-Donor/Acceptor Bilayer
(Graduate School of Science, Osaka Univ.1,Graduate School of Science and Technology, Kumamoto Univ.2,ISSP, Univ. Tokyo3,Graduate School of Advanced Science and Engineering, Hiroshima Univ.4,Graduate School of Data Science, Yokohama City Univ.5) *Hiroyuki Kato1, Akira Ueda2, Tomoko Fujino3, Yusuke Kanematsu4, Takashi Yamada1, Masanori Tachikawa5, Jun Yoshinobu3, Hatsumi Mori3
11:00-11:18 1D05Effects of cocatalyst on product selectivity in photocatalytic steam reforming of methane
(Institute for Molecular Science1,Graaduate University for Advanced Studies, SOKENDAI2,JST-PRESTO3) *Hikaru Saito1, Hiromasa Sato2,1, Taisuke Higashi1, Toshiki Sugimoto1,2,3
11:18-11:36 1D06Operando IR spectroscopy of reactive electrons in photocatalytic steam-methane reforming under irradiation of intensity modulated excitation light
(School of Physical Sciences, SOKENDAI1,IMS2,JST PRESTO3) *Hiromasa Sato1,2, Toshiki Sugimoto1,2,3
11:36-11:54 1D07Evaluating electronic structure of single-molecule junctions during the breaking process of chemical bonds at the metal-molecule interface
(Graduate School of Science and Engineering, Tokyo Tech.) *Yuji Isshiki, Tomoaki Nishino, Shintaro Fujii
11:54-12:12 1D08Spin dependent conductive phenomena of the chiral organic superconductor
(IMS1,SOKENDAI2) *Ryota Nakajima1,2, Yoji Nabei1,2, Daichi Hirobe1,2, Genta Kawaguchi1, Takuro Sato1,2, Tetsuya Narushima1,2, Hiromi Okamoto1,2, Hiroshi Yamamoto1,2

Venue E [Theory/Calculation]

9:30-9:48 1E01Theoretical analysis of surface functional group effect on capacitance of MXene electrode
(Graduate School of Engineering, Tokyo Univ.1,ESICB, Kyoto Univ.2,AIST3,Center for Computational Sciences, Tsukuba Univ.4,School of Advanced Science and Engineering, Waseda Univ.5) *Tatau Shimada1, Norio Takenaka1,2, Yasunobu Ando3, Minoru Otani4, Masashi Okubo2,5, Atsuo Yamada1,2
9:48-10:06 1E02Multireference perturbation theory combined with PCM and RISM solvation models
(Graduate School of Science, Nagoya University1,Graduate School of Arts and Science, The University of Tokyo2,ITbM, Nagoya University3) *Keisuke Hori1, Masaaki Saitow1, Ayaka Yoshikawa1, Ryosuke Shimizu1, Daisuke Yokogawa2, Takeshi Yanai1,3
10:06-10:24 1E03MD simulations and theoretical analysis of liquid pyrenes
(Graduate School of Science, Kyoto University1,National Institute for Materials Science2) *Yuki Yamamoto1, Fengniu Lu2, Takashi Nakanishi2, Shigehiko Hayashi1
10:24-10:42 1E04Self-consistent construction of free energy functional based on novel hierarchical integral equations and its application to solvation thermodynamics.
(Graduate School of Engineering, Kyoto University1,ESICB, Kyoto University2,FIFC, Kyoto University3) *Tomoaki Yagi1, Hirofumi Sato1,2,3
11:00-11:18 1E05Theoretical analysis of FRET between photosynthetic light-harvesting complex and artificial chromophore
(Graduate School of Science, Nagoya Univ.1,ITbM, Nagoya Univ.2,Graduate School of Engineering, Nagoya Inst. of Technology3) *Tomoya Miyashita1, Kazuhiro Fujimoto1,2, Takehisa Dewa3, Takeshi Yanai1,2
11:18-11:36 1E06Fast calculation of electron excitations based on Regional Localized Molecular Orbitals
(Interdisciplinary Graduate School of Engineering Sciences, Kyushu University) *Denis Mashkovtsev, Yuichi Orimoto, Yuriko Aoki
11:36-11:54 1E07Applications of the fragment molecular orbital method combined with periodic boundary conditions to periodic systems with a large unit cell
(CD-FMat, AIST) *Taiji Nakamura, Tomoko Yokaichiya, Dmitri Fedorov
11:54-12:12 1E08Fragment molecular orbital based interaction analyses for spike proteins of SARS-CoV-2
(Rikkyo Univ.1,Univ. Tokyo IIS2,AIST3,Kobe Univ.4) *Kazuki Akisawa1, Ryo Hatada1, Koji Okuwaki1, Shun Kitahara1, Yusuke Tachino1, Yuji Mochizuki1,2, Yuto Komeiji3, Shigenori Tanaka4

Saturday Afternoon Sessions(September 18, starting at 15:00)

Venue A   [Gas phase]

15:00-15:36 1A09[Invited Talk] Laser induced amplified spontaneous emission in diatomic molecules
(Tokyo University of Science) *Koichi Tsukiyama
15:36-15:54 1A11Study on large amplitude motions of acetaldehyde by high-resolution laser spectroscopy
(Graduate School of Science, Kobe University1,Photoscience Research Center, Kobe University2) *Kosuke Nakajima1, Akira Shimizu1, Shunji Kasahara2
15:54-16:12 1A12Ultrahigh-Resolution Laser Spectroscopy of the S1←S0 transition of trans-Stilbene
(Graduate School of Science, Kobe Univ1,Molecular Photoscience Research Center, Kobe Univ2) *Akira Shimizu1, Kousuke Nakajima1, Shunji Kasahara2
16:30-16:48 1A13Fourier transform microwave spectroscopy of cis-3-hexenal
(Graduate School of Science, Sophia Univ.) *Ryoto Ozawa, Nobuhiko Kuze, Yoshiyuki Kawashima, Seiya Yoshizawa
16:48-17:06 1A14Fourier transform microwave spectroscopy of microhydrated N-methylformamide clusters.
(Graduate School of Natural Science & Technology, Kanazawa Univ.) *Masaharu Fujitake, Yuya Umetani, Takeshi Yabe
17:06-17:24 1A15Millimeter-wave spectroscopy of isothiazole
(Department of Physics, Univ. Toyama1,Department of Chemistry, Univ. Wisconsin−Madison2) *Hoga Furukawa1, Masato Kawanaka1, Kaori Kobayashi1, Maria a Zdanovskaia2, Brian j Esselman2, R. claude Woods2, Robert j Mcmahon2
17:24-17:42 1A16Observational investigation of rotational lines in the millimeter region for prebiotic interstellar molecule CH3NCO toward star-forming region of Sagittarius
(Tokyo University of Science1,RIKEN2,Nihon University3,Sophia University4) *Mitsunori Araki1, Kyoichi Izuoka1, Yuki Ohno1, Takahiro Oyama2, Shuro Takano3, Nobuhiko Kuze4, Koichi Tsukiyama1

Venue B  [Clusters/particles/nanostructures]

15:00-15:18 1B09Elucidation of the Effect of Protective Ligands on the Geometrical Structure of Silver Nanoclusters
(Graduate School of Science, Tokyo University of Science1,Institute for Molecular Science2) *Yusuke Horita1, Mai Ishimi1, Sakiat Hossain1, Tokuhisa Kawawaki1, Pei Zhao2, Masahiro Ehara2, Yuichi Negishi1
15:18-15:36 1B10Facile synthesis of size-controlled Pt clusters and evaluation of their ORR catalytic activity
(Graduate School of Science, Tokyo University of Science1,Graduate School of Science, Tokyo Metropolitan University2) *Yusuke Mitomi1, Tokuhisa Kawawaki1, Soichi Kikkawa2, Seiji Yamazoe2, Yuichi Negishi1
15:36-15:54 1B11Precise synthesis of nickel clusters by dendrimers for dry reforming of methane
(Lab. Chem. Life Sci., Tokyo Tech1,JST-ERATO2,JST-PRESTO3) *Tatsuya Moriai1, Takamasa Tsukamoto1,2,3, Makoto Tanabe2, Tetsuya Kambe1,2, Takane Imaoka1,2, Kimihisa Yamamoto1,2
15:54-16:12 1B12Precise template synthesis of multimetallic clusters and their unique properties
(Lab. Chem. Life Sci., Tokyo Tech1,JST-PRESTO2,JST-ERATO3) *Takamasa Tsukamoto1,2,3, Tetsuya Kambe1,3, Kimihisa Yamamoto1,3
16:30-16:48 1B13Visualization of hetero-metallic dimers by STEM imaging of atom dynamics
(Lab Chem. Life Sci, Tokyo Institute of Technology1,JST-ERATO2) *Minori Inazu1, Takane Imaoka1,2, Kimihisa Yamamoto1,2
16:48-17:06 1B14Contribution of triplet nature to the emission process of highly luminescent Ag13Au12 clusters
(College of Science, Rikkyo Univ.) *Masaaki Mitsui, Yuki Kobayashi, Daichi Arima, Yoshiki Niihori
17:06-17:24 1B15Effect of ligand type on photon upconversion properties of platinum-doped silver clusters
(College of Science, Rikkyo Univ.) *Yoshiki Niihori, Atsuki Uchida, Masaaki Mitsui
17:24-17:42 1B16Visualization of microstructure and position-dependent diffusion coefficient in host materials using single-molecule tracking based on one-color fluorescence switching of diarylethene
(Osaka Univ.1,Rikkyo Univ.2,Tokyo Univ. of Agricul. and Tech.3,Toyama Prefectural Univ.4,Osaka Prefcture Univ.5) *Syoji Ito1,5, Misato Funaoka1, Itsuo Hanasaki3, Satoshi Takei4, Masakazu Morimoto2, Masahiro Irie2, Hiroshi Miyasaka1

Venue C  [Biomolecules]

15:00-15:18 1C09The effects of various bivalent metal ions on firefly bioluminescence
(Graduate School of Science and Technology, Gunma Univ.1,Institute for Solid Physics, The University of Tokyo2,AIST-UTokyo Advanced Operando-Measurement Technology Open Innovation Labo3,Gunma University Center for Food Science and Wellness4) *Keisuke Saito1, Ryohei Ono1,2, Hidefumi Akiyama2,3, Hideyuki Itabashi1,4, Miyabi Hiyama1,4
15:18-15:36 1C10Quantitative evaluation of firefly luciferin photodegradation
(Graduate School of Science and Technology, Gunma Univ.1,Gunma University Center for Food Science and Wellness2,Institute for Solid Physics, The University of Tokyo3,AIST-UTokyo Advanced Operando-Measurement Technology Open Innovation Labo4) *Ryo Kumagai1, Ryohei Ono1,3, Hidefumi Akiyama3,4, Miyabi Hiyama1,2
15:36-15:54 1C11A selective photoinduced-dimerization of eBLUF
(Graduate School of Science, Kyoto University) *Kosei Shibata, Yusuke Nakasone, Masahide Terazima
15:54-16:12 1C12Three simultaneous FRET processes of enhanced yellow fluorescent protein (eYFP) observed by picosecond time-resolved fluorescence anisotropy
(Toho Univ.) Hiroki Tsubota, Aimi Takayama, Yuri Takeda, Natsumi Yamada, *Haruko Hosoi
16:30-17:06 1C13[Invited Talk] Organic chemistry in multi-molecular crowding live cell systems
(Kyoto University1,ERATO/JST2) *Itaru Hamachi1,2
17:06-17:24 1C15Selective IR super-resolution imaging of feather keratin proteins by micro-spectroscopy based on non-linear optical process
(Okayama University of Science) *Hirona Takahashi, Kohei Katayama, Tetsuya Ida, Makoto Sakai
17:24-17:42 1C16Quantitative analysis of liquid-liquid phase separation of ALS-associated protein FUS LC using Raman imaging
(Graduate School of Pharmaceutical Sciences, Tohoku Univ.) *Kohei Yokosawa, Daiki Shibata, Shinji Kajimoto, Takakazu Nakabayashi

Venue D  [Solid phase]

15:00-15:18 1D09Impact of hydrogen bond in organic transistors based on indigo derivatives
(Tokyo Institute of Technology, Department of Materials Science and Engineering1,Department of Chemical Engineering and Center for Advanced Soft Electronics, Pohang University of Science and Technology2) Kazuho Ikeda1, Dongho Yoo2, Ryu Nishikawa1, Tadashi Kawamoto1, *Takehiko Mori1
15:18-15:36 1D10Development of novel electron-rich nickel dithiolene complexes exhibiting ambipolar field effect properties
(ISSP, the Univ. of Tokyo) *Masatoshi Ito, Tomoko Fujino, So Yokomori, Lei Zhang, Hatsumi Mori
15:36-15:54 1D11Ambipolar transistor properties of segregated charge-transfer complexes
(Department of Material Science and Engineering, Tokyo Institute of Technology) *Nikhil M, Tadashi Kawamoto, Takehiko Mori
15:54-16:12 1D12Stabilization of interfacial polarization and induction of polarization hysteresis in organic MISIM devices
(Graduate School of Science, Nagoya Univ.1,Faculty of Science, Hokkaido Univ.2,Graduate School of Chemical Sciences and Engineering, Hokkaido Univ.3,Graduate School of Engineering, Nagoya Univ.4) *Seiya Yokokura1, Akihiro Tomimatsu1, Jun Harada2,3, Haruka Takahashi3, Yukihiro Takahashi2,3, Yuto Nakamura4, Hideo Kishida4, Rie Suizu1, Michio Matsushita m.1, Kunio Awaga1
16:30-16:48 1D13Development of organic light emitting diode using chiral PDI derivative as a guest material for light emitting layer
(Graduate School of Science and Engineering, Ibaraki Univ.1,Faculty of Science and Engineering, Kindai Univ.2) *Aoba Kanesaka1, Yuki Nishimura1, Yoshitane Imai2, Hiroyuki Nishikawa1
16:48-17:06 1D14Molecular orientation analysis of amorphous N2O at 6 K by Infrared multiple-angle incidence resolution spectrometry
(Komaba Inst. Sci., UTokyo1,Inst. Low Temp. Sci., Hokkaido Univ.2,Inst. Chem. Res., Kyoto Univ.3) *Tetsuya Hama1, Atsuki Ishibashi2, Akira Kouchi2, Naoki Watanabe2, Nobutaka Shioya3, Takafumi Shimoaka3, Takeshi Hasegawa3
17:06-17:24 1D15Gelation of carbon nanotube by triptycene derivative
(Graduate School of Science, Nagoya Univ.) *Ryo Ushiroguchi, Rie Suizu, Kunio Awaga
17:24-17:42 1D16Electronic properties of molecular honeycomb lattice on solid surface
(Department of Chemistry, Nagoya Univ.1,NIMS2) *Rie Suizu1, Ryohei Nemoto2, Ryo Ushiroguchi1, Takashi Uchihashi2, Kunio Awaga1

Venue E  [Theory/Calculation]

15:00-15:18 1E09Dynamic residue interaction network analysis of the H274Y mutation in neuraminidase conferring drug resistance in influenza virus
(Department of Applied Chemistry, Faculty of Engineering, Chiba Institute of Technology, Narashino, Japan1,Division of Global Epidemiology, Research Center for Zoonosis Control, Hokkaido University, Sapporo, Japan2,International Collaboration Unit, Research Center for Zoonosis Control, Hokkaido University, Sapporo, Japan3) *Mohini Yadav1, Manabu Igarashi2,3, Norifumi Yamamoto1
15:18-15:36 1E10Topological data analysis for protein structural changes caused by some mutations
(Graduate school of Medicine, Nagoya Univ.) *Jun Koseki, Yasuhiro Kojima, Syuto Hayashi, Haruka Hirose, Hyunha Nam, Teppei Shimamura
15:36-15:54 1E11Analysis of Non-Site-Specific Allosteric Regulation Mechanism by Time Series Clustering Using Two-Dimensional Time Series Data
(Faculty of Eng., Shizuoka Univ.1,Grad. Sch. of Informatics, Nagoya Univ.2,ESICB, Kyoto Univ.3,FV-CRC, Nagoya Univ.4) *Yukichi Kitamura1,2, Kei Takami2, Masataka Nagaoka2,3,4
15:54-16:12 1E12Microscopic insights into dynamic disorder in the conformational changes of the protein
(IMS1,SOKENDAI2) *Yoshihiro Matsumura1, Shinji Saito1,2
16:30-16:48 1E13Energy landscape and folding transitions of a small protein
(Guraduate School of Natural Science and Technology, Kanazawa Univ.1,Faculty of Mathematics and Physics, Kanazawa Univ.2) Daisuke Suzuki1, *Shinichi Miura2
16:48-17:06 1E14Development of Molecular Dynamics Simulations of Biomembrane Permeability by Using Free Energy Reaction Network
(Graduate School of Science, Osaka Prefecture Univ.1,Research Institute for Molecular Electronic Devices, Osaka Prefecture Univ.2,Center for Computational Sciences, Univ. of Tsukuba3) *Yuki Mitsuta1,2, Toshio Asada1,2, Shiro Koseki1,2, Yasuteru Shigeta3
17:06-17:24 1E15Formation simulation of structural isomers in SN1 reaction by Red Moon method: On determination factors of enantiomeric excess
(Graduate School of Informatics, Nagoya Univ.1,Future Value Creation Research Center, Nagoya Univ.2,JST-CREST3,ESICB, Kyoto Univ.4) *Yuichi Suzuki1, Hiroaki Yagoshi1, Nobuaki Koga1,2,3, Masataka Nagaoka1,2,3,4
17:24-17:42 1E16Toward molecular mechanism of substance transportation in heterogeneous systems - application of dynamic Monte Carlo method -
(Graduate School of Frontier Sciences, The University of Tokyo) Tetsuro Nagai, *Susumu Okazaki