L
Lina Ding
Researcher at Kyoto University
Publications - 5
Citations - 936
Lina Ding is an academic researcher from Kyoto University. The author has contributed to research in topics: Excited state & ONIOM. The author has an hindex of 4, co-authored 4 publications receiving 716 citations. Previous affiliations of Lina Ding include Zhengzhou University.
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Journal ArticleDOI
The ONIOM Method and Its Applications
Lung Wa Chung,W. M. C. Sameera,Romain Ramozzi,Alister J. Page,Miho Hatanaka,Galina P. Petrova,Travis V. Harris,Travis V. Harris,Xin Li,Zhuofeng Ke,Fengyi Liu,Hai Bei Li,Lina Ding,Keiji Morokuma +13 more
TL;DR: This paper presents a meta-analyses of the proton-probes of Na6(CO3)(SO4)2, Na2SO4, and Na2CO3 of the response of the H2O/O2 “spatially aggregating substance,” which has the potential to alter the structure of the molecule and provide clues to the “building blocks” of DNA.
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sp3-sp2 vs sp3-sp3 C-C site selectivity in Rh-catalyzed ring opening of benzocyclobutenol: a DFT study.
TL;DR: Site selectivity in the C-C bond activation in Rh-catalyzed ring opening of benzocyclobutenol was systematically investigated using density functional theory (DFT).
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Reaction Mechanism of Photoinduced Decarboxylation of the Photoactivatable Green Fluorescent Protein: An ONIOM(QM:MM) Study
TL;DR: The present study elucidated for the first time the mechanism of the photoinduced decarboxylation of PA-GFP and supports the widely accepted Kolbe pathway, which could be a common mechanism for the irreversible photo induced decar boxylation in different fluorescent proteins.
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Excited-State Proton Transfer Controls Irreversibility of Photoisomerization in Mononuclear Ruthenium(II) Monoaquo Complexes: A DFT Study
TL;DR: The detailed DFT investigation clears the working mechanism of the irreversible photoisomerization of trans and cis trans-[Ru(tpy)(pynp)(OH2)](2+) (TA) and cis (CA) complexes.
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A molecular simulation study of hepatitis B virus core protein and the nuclear protein allosteric modulators of phthalazinone derivatives.
TL;DR: This study provides an important theoretical basis for the design and optimization of phthalazinone compounds through three-dimensional quantitative structure-activity relationship (3D-QSAR), molecular docking, molecular dynamics, and binding free energy calculation and decomposition studies.