{"id":1262,"date":"2021-01-28T09:09:24","date_gmt":"2021-01-28T00:09:24","guid":{"rendered":"http:\/\/fock2.c.s.osakafu-u.ac.jp\/~asada\/?page_id=1262"},"modified":"2024-06-25T15:25:16","modified_gmt":"2024-06-25T06:25:16","slug":"2021-2","status":"publish","type":"page","link":"https:\/\/polakow.fluid.me.omu.ac.jp\/~asada\/?page_id=1262","title":{"rendered":"2021-"},"content":{"rendered":"

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Online meeting<\/span><\/span><\/span><\/p>

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Online meeting<\/span><\/span><\/span><\/p>

AI\u3068\u5206\u5b50\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306b\u3088\u308b\u9ad8\u79fb\u52d5\u5ea6\u96fb\u8377\u8f38\u9001\u6750\u306b\u9069\u3057\u305f\u5206\u5b50\u8a2d\u8a08\u30b7\u30b9\u30c6\u30e0\u306e\u69cb\u7bc9<\/span>
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Online meeting<\/span><\/span><\/span><\/p>

1-phenyl-methylenecyclopropane \u306b\u304a\u3051\u308b\u5149\u5316\u5b66\u53cd\u5fdc\u306e\u7406\u8ad6\u7684\u89e3\u660e\uff1a\u52b1\u8d77\u72b6\u614b\u306e\u53cd\u5fdc\u7d4c\u8def<\/span><\/p>

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Online meeting<\/span><\/span><\/span><\/p>

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<\/span><\/p>

\u30fb\u65e5\u672c\u5316\u5b66\u4f1a\u7b2c102\u56de\u6625\u5b63\u5e74\u4f1a(2022)\u30002022\u5e743\u670825\u65e5\u3000\u30aa\u30f3\u30e9\u30a4\u30f3
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\u66f2\u7387\u91cd\u307f\u4ed8\u304d Nudged Elastic Band \u6cd5\u306e\u958b\u767a
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(Cyclopropylidenemethyl)benzene\u306b\u304a\u3051\u308b\u5149\u5316\u5b66\u53cd\u5fdc\u306e\u7406\u8ad6\u7684\u89e3\u660e\uff1a\u5149\u52b1\u8d77\u306b\u3088\u308b\u30ab\u30eb\u30d9\u30f3\u306e\u751f\u6210\u904e\u7a0b
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\u30fbICCMSE2022\u30002022\u5e7410<\/span><\/span><\/span>\u670826\u65e5\u3001\u30aa\u30f3\u30e9\u30a4\u30f3, (invited)
Computational investigation of the inhibitor reaction on the free energy surface between SARS-CoV-2 Mpro and N3 complex
Toshio Asada<\/span><\/span><\/span><\/p>

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<\/span><\/span><\/span>\u30fbICPAK Kota Kinabaru 2022\u30002022\u5e7411\u670822\u65e5\u3001Kota Kinabaru, Malaysia , (invited)
Computational investigation of the inhibition reaction on the free energy surface between SARS-CoV-2 Mpro and N3 complex
Toshio Asada
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Fentanyl \u3068\u305d\u306e\u985e\u4f3c\u4f53\u306e\u819c\u900f\u904e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3
\u6e80\u7530\u7950\u6a39\u3001\u9ebb\u7530\u4fca\u96c4
<\/span><\/span><\/span><\/p>

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\u30fbAPATCC-10 2023\u5e742\u670819\u65e5\u3001Quy Nhon, Vietnam
Computational Approach for Molecular Design with High Hole Mobilities using Random Forest Technique and Comnputer Simulation Method
Toshio Asada, Keijin Nakaguro, Takashi Yamaguchi, Tomohiro Oshiyama(Konica Minolta), Yuki Mitsuta<\/span><\/span><\/span><\/p>

\u30fb\u7b2c25\u56de\u7406\u8ad6\u5316\u5b66\u8a0e\u8ad6\u4f1a\u30002023\u5e745\u670817\u65e5\u3001\u8cc7\u751f\u5802 S\/SPARK\u30db\u30fc\u30eb\u3001<\/span><\/span><\/span>\u6a2a\u6d5c
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<\/span><\/span><\/span>\u30fbSRPS2023\u30002023\u5e749\u670811\u65e5\u3001\u5927\u962a\u516c\u7acb\u5927\u5b66\u3001\u5927\u962a
SARS-CoV-2 Mpro \u306e\u963b\u5bb3\u53cd\u5fdc\u30d7\u30ed\u30bb\u30b9\u306e\u89e3\u660e\u3068\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\u5bc4\u4e0e\u89e3\u6790
\u9ebb\u7530\u4fca\u96c4\u3000(\u62db\u5f85\u8b1b\u6f14)
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Nudged Elastic Stiffness Band\u6cd5\uff1a\u53cd\u5fdc\u7d4c\u8def\u306ekink\u554f\u984c\u3092\u89e3\u6c7a\u3059\u308b\u624b\u6cd5\u306e\u958b\u767a
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\u30c8\u30ea\u30d7\u30b7\u30f3\u306b\u3088\u308b\u30da\u30d7\u30c1\u30c9\u7d50\u5408\u5207\u65ad\u53cd\u5fdc\u306b\u304a\u3051\u308b\u53cd\u5fdc\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\u30d7\u30ed\u30d5\u30a1\u30a4\u30eb\u306e\u6210\u5206\u5206\u5272
\u68ee\u672c\u65e9\u7d00\u3001\u6e80\u7530\u7950\u6a39\u3001\u9ebb\u7530\u4fca\u96c4<\/span><\/span><\/span><\/p>

\u30fb\u7b2c17\u56de\u5206\u5b50\u79d1\u5b66\u8a0e\u8ad6\u4f1a\u30002023\u5e749\u670813\u65e5\u3001\u5927\u962a\u5927\u5b66\u3001\u5927\u962a
SARS-CoV-2\u306e\u8907\u88fd\u904e\u7a0b\u306b\u304a\u3051\u308b\u5171\u6709\u7d50\u5408\u6027\u963b\u5bb3\u5264\u306b\u3088\u308b\u963b\u5bb3\u53cd\u5fdc\u6a5f\u69cb\u306e\u7406\u8ad6\u7684\u89e3\u6790
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\u30fb\u7b2c17\u56de\u5206\u5b50\u79d1\u5b66\u8a0e\u8ad6\u4f1a\u30002023\u5e749\u670813\u65e5\u3001\u5927\u962a\u5927\u5b66\u3001\u5927\u962a
\u30ec\u30d7\u30ea\u30ab\u4ea4\u63db\u5206\u5b50\u52d5\u529b\u5b66\u6cd5\u306b\u3088\u308bL-Pro-Gly\u6b8b\u57fa\u3068D-Pro-Gly\u6b8b\u57fa\u306b\u304a\u3051\u308bbeta\u30bf\u30fc\u30f3\u69cb\u9020\u306e\u5b89\u5b9a\u6027\u306e\u6bd4\u8f03
\u52dd\u8a89\u6cbb\u3001\u6e80\u7530\u7950\u6a39\u3001\u9ebb\u7530\u4fca\u96c4<\/span><\/span><\/span><\/p>

\u30fb\u7b2c17\u56de\u5206\u5b50\u79d1\u5b66\u8a0e\u8ad6\u4f1a\u30002023\u5e749\u670813\u65e5\u3001\u5927\u962a\u5927\u5b66\u3001\u5927\u962a
\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\u53cd\u5fdc\u7d4c\u8def\u30cd\u30c3\u30c8\u30ef\u30fc\u30af\u306b\u3088\u308bpiracetam\u306e\u751f\u4f53\u819c\u900f\u904e\u6027\u306e\u89e3\u6790
<\/span><\/span><\/span>\u80a5\u7530\u5409\u9a0e\u3001\u6e80\u7530\u7950\u6a39\u3001\u9ebb\u7530\u4fca\u96c4
\u30fbThe 6th International Conference on Molecular Simulation (ICMS2023)\u30002023\u5e7410\u67086\u65e5\u3001National Taiwan University\u3001Taiwan
Predicting the Biomembranes Permeability of Fentanyl and Its Analogues by Free Energy Reaction Route Network<\/span><\/span><\/span><\/p>

Yuki Mitsuta, Toshio Asada
<\/span><\/span><\/span><\/p>

\u30fbThe 6th International Conference on Molecular Simulation (ICMS2023)\u30002023\u5e7410\u67086\u65e5\u3001National Taiwan University\u3001Taiwan
Comparison of \u03b2-turn stabilities of L-Pro-Gly and D-Pro-Gly residues by using replica-exchange molecular dynamics simulations
<\/span><\/span><\/span><\/p>

Katsuharu Katsu, Yuki Mitsuta, Toshio Asada<\/span><\/span><\/span><\/p>

\u30fbThe 6th International Conference on Molecular Simulation (ICMS2023)\u30002023\u5e7410\u67086\u65e5\u3001National Taiwan University\u3001Taiwan
Analysis of membrane permeability of piracetam by using a variationally enhanced sampling and a free energy reaction route network method
<\/span><\/span><\/span><\/p>

Yoshiki Hida, Yuki Mitsuta, Toshio Asada<\/span><\/span><\/span><\/p>

\u30fbThe 22nd International Discussion & Conference on Nano Interface Controlled Electronic Devices (IDC-NICE 2023)\u30002023\u5e7410\u670812\u65e5\u3001I-site \u306a\u3093\u3070\u3001\u5927\u962a
Machine Learning-Driven Molecular Design for High Hole Mobility in Amorphous Phases
Toshio Asada\u3000(Keynote invited lecture)<\/span><\/span><\/span><\/p>

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<\/span><\/span><\/span><\/p>","protected":false},"excerpt":{"rendered":"

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