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1 . Academic Journal
Binding Mechanism of Riboswitch to Natural Ligand Elucidated by McMD-Based Dynamic Docking Simulations
저자
by
Gert-Jan Bekker
;
Yoshifumi Fukunishi
;
Junichi Higo
;
Narutoshi Kamiya
.
소스
ACS Omega, Vol 9, Iss 3, Pp 3412-3422 (2024)
Open Access (DOAJ)
Web of Science
Scopus
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6 . Academic Journal
Binding free-energy landscapes of small molecule binder and non-binder to FMN riboswitch: All-atom molecular dynamics
저자
by
Junichi Higo
;
Gert-Jan Bekker
;
Narutoshi Kamiya
;
Ikuo Fukuda
;
Yoshifumi Fukunishi
.
소스
Biophysics and Physicobiology, Vol 20 (2023)
Open Access (JSTAGE)
Open Access (DOAJ)
Scopus
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7 . Academic Journal
A cutoff-based method with charge-distribution-data driven pair potentials for efficiently estimating electrostatic interactions in molecular systems.
저자
by
Fukuda, Ikuo
;
Moritsugu, Kei
;
Higo, Junichi
;
Fukunishi, Yoshifumi
.
소스
Journal of Chemical Physics; 12/21/2023, Vol. 159 Issue 23, p1-12, 12p
Full Text (AIP)
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6 . Report
GA-guided mD-VcMD: A genetic-algorithm-based method for multi-dimensional virtual-system coupled molecular dynamics
저자
by
Higo, Junichi
;
Kusaka, Ayumi
;
Kasahara, Kota
;
Kamiya, Narutoshi
;
Fukuda, Ikuo
, et al.
소스
Open Access (Arxiv)
Find it @ DONGA
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7 . Academic Journal
Computer simulation of molecular recognition in biomolecular system: from in silico screening to generalized ensembles
저자
by
Fukunishi, Yoshifumi
;
Higo, Junichi
;
Kasahara, Kota
.
소스
Biophysical Reviews
. 14(6):1423-1447
Scopus
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5 . Academic Journal
Fly casting with ligand sliding and orientational selection supporting complex formation of a GPCR and a middle sized flexible molecule
저자
by
Junichi Higo
;
Kota Kasahara
;
Gert-Jan Bekker
;
Benson Ma
;
Shun Sakuraba
, et al.
소스
Scientific Reports, Vol 12, Iss 1, Pp 1-19 (2022)
Open Access (DOAJ)
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7 . Academic Journal
Fly casting with ligand sliding and orientational selection supporting complex formation of a GPCR and a middle sized flexible molecule
저자
by
Higo, Junichi
;
Kasahara, Kota
;
Bekker, Gert-Jan
;
Ma, Benson
;
Sakuraba, Shun
, et al.
소스
Scientific Reports
. 12(1)
Web of Science
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7 . Academic Journal
Binding free-energy landscapes of small molecule binder and non-binder to FMN riboswitch: All-atom molecular dynamics
저자
by
Gert-Jan Bekker
;
Ikuo Fukuda
;
Junichi Higo
;
Narutoshi Kamiya
;
Yoshifumi Fukunishi
.
소스
Biophysics and Physicobiology. 2023, 20(4):200047
Open Access (JSTAGE)
Scopus
JCR 저널정보
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7 . Academic Journal
Cryptic-site binding mechanism of medium-sized Bcl-xL inhibiting compounds elucidated by McMD-based dynamic docking simulations
저자
by
Gert-Jan Bekker
;
Ikuo Fukuda
;
Junichi Higo
;
Yoshifumi Fukunishi
;
Narutoshi Kamiya
.
소스
Scientific Reports, Vol 11, Iss 1, Pp 1-12 (2021)
Open Access (DOAJ)
Web of Science
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7 . Academic Journal
Difference of binding modes among three ligands to a receptor mSin3B corresponding to their inhibitory activities
저자
by
Tomonori Hayami
;
Narutoshi Kamiya
;
Kota Kasahara
;
Takeshi Kawabata
;
Jun-ichi Kurita
, et al.
소스
Scientific Reports, Vol 11, Iss 1, Pp 1-12 (2021)
Open Access (DOAJ)
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