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Shingo Ito - Publications

Affiliations: 
2016-2017 Institute of Transformative Bio-Molecules (ITbM) Nagoya University, Nagoya-shi, Aichi-ken, Japan 
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10 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Ousaka N, Yamamoto S, Iida H, Iwata T, Ito S, Souza R, Hijikata Y, Irle S, Yashima E. Encapsulation of Aromatic Guests in the Bisporphyrin Cavity of a Double-Stranded Spiroborate Helicate: Thermodynamic and Kinetic Studies and the Encapsulation Mechanism. The Journal of Organic Chemistry. 86: 10501-10516. PMID 34282918 DOI: 10.1021/acs.joc.1c01155  0.454
2019 Ousaka N, Yamamoto S, Iida H, Iwata T, Ito S, Hijikata Y, Irle S, Yashima E. Water-mediated deracemization of a bisporphyrin helicate assisted by diastereoselective encapsulation of chiral guests. Nature Communications. 10: 1457. PMID 30926811 DOI: 10.1038/S41467-019-09443-Z  0.481
2018 Ito S, Wang Y, Okamoto Y, Irle S. Quantum chemical replica-exchange umbrella sampling molecular dynamics simulations reveal the formation mechanism of iron phthalocyanine from iron and phthalonitrile. The Journal of Chemical Physics. 149: 072332. PMID 30134675 DOI: 10.1063/1.5026956  0.557
2018 Ito S, Fedorov DG, Okamoto Y, Irle S. Implementation of replica-exchange umbrella sampling in GAMESS Computer Physics Communications. 228: 152-162. DOI: 10.1016/J.Cpc.2018.01.014  0.55
2016 Lu X, Fang D, Ito S, Okamoto Y, Ovchinnikov V, Cui Q. QM/MM free energy simulations: recent progress and challenges. Molecular Simulation. 42: 1056-1078. PMID 27563170 DOI: 10.1080/08927022.2015.1132317  0.334
2016 Nakano R, Chung LW, Watanabe Y, Okuno Y, Okumura Y, Ito S, Morokuma K, Nozaki K. Elucidating the Key Role of Phosphine-Sulfonate Ligands in Palladium-Catalyzed Ethylene Polymerization: Effect of Ligand Structure on the Molecular Weight and Linearity of Polyethylene Acs Catalysis. 6: 6101-6113. DOI: 10.1021/Acscatal.6B00911  0.372
2016 Ito S, Irle S, Okamoto Y. Implementation of replica-exchange umbrella sampling in the DFTB+ semiempirical quantum chemistry package Computer Physics Communications. DOI: 10.1016/J.Cpc.2016.02.010  0.555
2015 Ito S, Okamoto Y, Irle S. Implementation of Replica-Exchange Umbrella Sampling to the DFTB+ Simulation Package Biophysical Journal. 108: 159a. DOI: 10.1016/J.Bpj.2014.11.876  0.543
2014 Ito S, Okamoto Y, Irle S. 3P011 Implementation of Replica-Exchange Umbrella Sampling to the DFTB+ Simulation Package(01A. Protein: Structure,Poster,The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014)) Seibutsu Butsuri. 54: S250. DOI: 10.2142/Biophys.54.S250_5  0.491
2011 Nakamura A, Munakata K, Ito S, Kochi T, Chung LW, Morokuma K, Nozaki K. Pd-catalyzed copolymerization of methyl acrylate with carbon monoxide: structures, properties and mechanistic aspects toward ligand design. Journal of the American Chemical Society. 133: 6761-79. PMID 21480592 DOI: 10.1021/Ja2003268  0.352
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