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1 . Academic Journal
Unveiling interatomic distances influencing the reaction coordinates in alanine dipeptide isomerization: An explainable deep learning approach.
저자
by
Okada, Kazushi
;
Kikutsuji, Takuma
;
Okazaki, Kei-ichi
;
Mori, Toshifumi
;
Kim, Kang
, et al.
소스
Journal of Chemical Physics
. 5/7/2024, Vol. 160 Issue 17, p1-8. 8p.
Full Text (AIP)
Scopus
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7 . Academic Journal
Tuning the ATP–ATP and ATP–disordered protein interactions in high ATP concentration by altering water models.
저자
by
Mori, Toshifumi
;
Yoshida, Norio
.
소스
Journal of Chemical Physics
. 7/21/2023, Vol. 159 Issue 3, p1-11. 11p.
Full Text (AIP)
Scopus
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4 . Academic Journal
Mechanistic insights into the role of cyclodextrin in the regioselective radical CH trifluoromethylation of aromatic compounds.
저자
by
Kawashima, Kyohei
;
Lu, Xu
;
Kuninobu, Yoichiro
;
Mori, Toshifumi
.
소스
Journal of Computational Chemistry
. May2024, p1. 7p. 6 Illustrations, 1 Chart.
Scopus
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6 . Academic Journal
Carbamoylarylation of Alkenes with N‑Aryl Oxamic Acids Involving 1,4-Aryl Migration Via C(aryl)–N Bond Cleavage.
저자
by
Shiozuka, Akira
;
Wu, Di
;
Kawashima, Kyohei
;
Mori, Toshifumi
;
Sekine, Kohei
, et al.
소스
ACS Catalysis; 4/19/2024, Vol. 14 Issue 8, p5972-5977, 6p
Full Text (ACS)
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7 . Academic Journal
Conformational Dynamics in Proteins: Entangled Slow Fluctuations and Nonequilibrium Reaction Events.
저자
by
Ono, Junichi
;
Matsumura, Yoshihiro
;
Mori, Toshifumi
;
Saito, Shinji
.
소스
Journal of Physical Chemistry B; 1/11/2024, Vol. 128 Issue 1, p20-32, 13p
Full Text (ACS)
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6 . Report
Explaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI)
저자
by
Kikutsuji, Takuma
;
Mori, Yusuke
;
Okazaki, Kei-ichi
;
Mori, Toshifumi
;
Kim, Kang
, et al.
소스
J. Chem. Phys. 156, 154108 (2022)
Open Access (Arxiv)
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7 . Academic Journal
Structural and Dynamic Alteration of Glycated Human Serum Albumin in Schiff Base and Amadori Adducts: A Molecular Simulation Study.
저자
by
Sittiwanichai, Sirin
;
Japrung, Deanpen
;
Mori, Toshifumi
;
Pongprayoon, Prapasiri
.
소스
Journal of Physical Chemistry B; 6/15/2023, Vol. 127 Issue 23, p5230-5240, 11p
Full Text (ACS)
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6 . Report
Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide
저자
by
Mori, Yusuke
;
Okazaki, Kei-ichi
;
Mori, Toshifumi
;
Kim, Kang
;
Matubayasi, Nobuyuki
.
소스
J. Chem. Phys. 153, 054115 (2020)
Open Access (Arxiv)
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7 . Academic Journal
Dynamic electron correlation effect on conical intersections in photochemical ring-opening reaction of cyclohexadiene: MS-CASPT2 study
저자
by
Mori, Toshifumi
;
Kato, Shigeki
.
소스
In
Chemical Physics Letters
7 July 2009 476(1-3):97-100
Full Text (ScienceDirect)
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4 . Academic Journal
Analytical RISM-MP2 free energy gradient method: Application to the Schlenk equilibrium of Grignard reagent
저자
by
Mori, Toshifumi
;
Kato, Shigeki
.
소스
In
Chemical Physics Letters
2007 437(1):159-163
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